321960 <common-name>3-(4-methylpiperazine-1-carbonyl)-4-phenyl-1h-1,2,4-benzotriazepin-5-one</common-name> <description>3-(4-methylpiperazine-1-carbonyl)-4-phenyl-1h-1,2,4-benzotriazepin-5-one is a chemical compound with the formula C20H21N5O2. It has an average molecular weight of 363.40 g/mol.</description> <cas>63931-92-0</cas> <pubchem-id>3048711</pubchem-id> <chemical-formula>C20H21N5O2</chemical-formula> <weight>363.4</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">2026-08-29T21:44:26Z</created-at> <updated-at type="dateTime">2026-08-29T21:44:26Z</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>CN1CCN(CC1)C(=O)C2=NNC3=CC=CC=C3C(=O)N2C4=CC=CC=C4</moldb-smiles> <moldb-formula>C20H21N5O2</moldb-formula> <moldb-inchi>InChI=1S/C20H21N5O2/c1-23-11-13-24(14-12-23)20(27)18-22-21-17-10-6-5-9-16(17)19(26)25(18)15-7-3-2-4-8-15/h2-10,21H,11-14H2,1H3</moldb-inchi> <moldb-inchikey>VXZKOUJTIONVGD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">363.1695249</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM317853</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>3-(4-methylpiperazine-1-carbonyl)-4-phenyl-1h-1,2,4-benzotriazepin-5-one</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>CED0272671</sync-id> <structure-inchikey>VXZKOUJTIONVGD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000004000000000000000000000000010000000000000000000000000020000000008000002004008000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000010000000000000000030000010000020102000000000080000000000000004040000000800000200000004000020080000100000000080000000000000000800000000000000000080000000000000002000002008000008008000000000000000004000000000000000000000002000000000000000200000000000200000040000200000040000001000400000000000000020000004000000000</structure-fingerprint> 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