2-[3-(1H-indol-3-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-(4-methoxyphenyl)-3-methyl-butanamide

Systemtic Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-(4-methoxyphenyl)-3-methyl-butanamide Openeye Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-(4-methoxyphenyl)-3-methyl-butanamide CAS Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-(4-methoxyphenyl)-3-methylbutanamide IUPAC Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-(4-methoxyphenyl)-3-methylbutanamide Traditional Name: 2-[3-(1H-indol-3-ylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-(4-methoxyphenyl)-3-methyl-butyramide Formula: C36H34N4O3 MolecularWeight: 570.68016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)OC)(C(=O)N)N2C3=CC=CC=C3C(=NC(C2=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)OC)(C(=O)N)N2C3=CC=CC=C3C(=NC(C2=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C36H34N4O3/c1-23(2)36(35(37)42,26-17-19-27(43-3)20-18-26)40-32-16-10-8-14-29(32)33(24-11-5-4-6-12-24)39-31(34(40)41)21-25-22-38-30-15-9-7-13-28(25)30/h4-20,22-23,31,38H,21H2,1-3H3,(H2,37,42)