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

Systemtic Name: methyl 4-(11-methyl-8-phenyl-benzo[b][1,4]benzodiazepin-6-yl)benzoate Openeye Name: methyl 4-(11-methyl-8-phenyl-benzo[b][1,4]benzodiazepin-6-yl)benzoate CAS Name: 4-(11-methyl-8-phenyl-6-benzo[b][1,4]benzodiazepinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(11-methyl-8-phenylbenzo[b][1,4]benzodiazepin-6-yl)benzoate Traditional Name: 4-(11-methyl-8-phenyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester Formula: C28H22N2O2 MolecularWeight: 418.48648

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O2/c1-30-25-17-16-22(19-8-4-3-5-9-19)18-23(25)27(29-24-10-6-7-11-26(24)30)20-12-14-21(15-13-20)28(31)32-2/h3-18H,1-2H3