4-(11-methyl-8-phenyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid

Systemtic Name: 4-(11-methyl-8-phenyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid Openeye Name: 4-(11-methyl-8-phenyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid CAS Name: 4-(11-methyl-8-phenyl-6-benzo[b][1,4]benzodiazepinyl)benzoic acid IUPAC Name: 4-(11-methyl-8-phenylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid Traditional Name: 4-(11-methyl-8-phenyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid Formula: C27H20N2O2 MolecularWeight: 404.4599

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC=CC=C3)C(=NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC=CC=C3)C(=NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H20N2O2/c1-29-24-16-15-21(18-7-3-2-4-8-18)17-22(24)26(28-23-9-5-6-10-25(23)29)19-11-13-20(14-12-19)27(30)31/h2-17H,1H3,(H,30,31)