2-butyl-3-(2-methylpropyl)-N'-(2-oxidanylidene-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanediamide

Systemtic Name: 2-butyl-3-(2-methylpropyl)-N'-(2-oxidanylidene-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanediamide Openeye Name: 2-butyl-3-isobutyl-N'-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanediamide CAS Name: 2-butyl-3-(2-methylpropyl)-N'-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanediamide IUPAC Name: 2-butyl-3-(2-methylpropyl)-N'-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanediamide Traditional Name: 2-butyl-3-isobutyl-N'-(2-keto-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)succinamide Formula: C35H42N4O3 MolecularWeight: 566.73298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C35H42N4O3/c1-4-5-18-27(32(36)40)29(23-24(2)3)34(41)38-33-35(42)39(22-21-25-14-8-6-9-15-25)30-20-13-12-19-28(30)31(37-33)26-16-10-7-11-17-26/h6-17,19-20,24,27,29,33H,4-5,18,21-23H2,1-3H3,(H2,36,40)(H,38,41)