307040 <common-name>Methyl 2-phenyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-4-carboxylate</common-name> <description>Methyl 2-phenyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-4-carboxylate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C17H18N2O2 and an average molecular weight of 282.34 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>87896-34-2</cas> <pubchem-id>55761</pubchem-id> <chemical-formula>C17H18N2O2</chemical-formula> <weight>282.34</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T00:58:43Z</created-at> <updated-at type="dateTime">2026-08-29T00:58:43Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC(=O)C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C17H18N2O2</moldb-formula> <moldb-inchi>InChI=1S/C17H18N2O2/c1-21-17(20)16-11-15(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16/h2-10,15-16,18-19H,11H2,1H3</moldb-inchi> <moldb-inchikey>NAQZJNAMQOBDQN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">282.1368278</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM302933</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Methyl 2-phenyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-4-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0258092</sync-id> <structure-inchikey>NAQZJNAMQOBDQN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000100000000000000000000000000000000000000000000000000000000000402000040000000200000040000000000000000000000000000000000020000000000000000000000000000200000000001000000000000000000100000000100000000c0000000000000000000020000000000000000000000108000000040000100800000200000000080000000000100000000000000010001000800000000000000000000080000000000000000000002000000000000000000000000000000000000000000000001000000000000000000020200000000000000000000000000000040000000000400000000000000020000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`�������`�������h�������@(������@h�������@h�������@h�������@h�������@(�������h�������@(������@h�������@h�������@h�������@h�������@h������������ ��(��������������� � h� h� �h���h�� h� � �����h���h���h���h���h���� �h���h�B���������� �� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:21Z</structure-indexed-at> </compound>