341547 <common-name>3-(4-methoxyphenyl)-9-methyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole</common-name> <description>3-(4-methoxyphenyl)-9-methyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole is a chemical compound with the formula C25H22N2O2. It has an average molecular weight of 382.50 g/mol.</description> <cas>56071-26-2</cas> <pubchem-id>3043712</pubchem-id> <chemical-formula>C25H22N2O2</chemical-formula> <weight>382.5</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">2026-08-31T02:01:51Z</created-at> <updated-at type="dateTime">2026-08-31T02:01:51Z</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>CC1=CC2=C(C=C1)OCCC3=C(N(N=C32)C4=CC=CC=C4)C5=CC=C(C=C5)OC</moldb-smiles> <moldb-formula>C25H22N2O2</moldb-formula> <moldb-inchi>InChI=1S/C25H22N2O2/c1-17-8-13-23-22(16-17)24-21(14-15-29-23)25(18-9-11-20(28-2)12-10-18)27(26-24)19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3</moldb-inchi> <moldb-inchikey>MJWDABBBYMCJKM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">382.1681279</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM337440</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-methoxyphenyl)-9-methyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole</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>Organoheterocyclic compounds</superklass> <klass>Benzoxepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0291945</sync-id> <structure-inchikey>MJWDABBBYMCJKM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000040000000300000018040002004000000000000440000000000000000000000000000000000000000000000000000800000000100000200000000000000040000000000010040000000100000800000020100020000000000000004000010004040000000800000000000000000800000000100000000000000000000000080000000000000100100080000000000000080000000000000000040004080000000000000000000000000000400000100000080002000200200000000000000000140000008000060000000400000000400080000000000000000000000</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���h���h���h��� ��h���h���h���h���h��� �����h��� � h���h���h�B���������������� �� �� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:27Z</structure-indexed-at> </compound>