3-(2-methylpropyl)-N'-(2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-(2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-(1-isopropyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanediamide CAS Name: 3-(2-methylpropyl)-N'-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)-2-prop-2-enylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-(1-isopropyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl)succinamide Formula: C29H36N4O3 MolecularWeight: 488.62114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O3/c1-6-12-21(26(30)34)23(17-18(2)3)28(35)32-27-29(36)33(19(4)5)24-16-11-10-15-22(24)25(31-27)20-13-8-7-9-14-20/h6-11,13-16,18-19,21,23,27H,1,12,17H2,2-5H3,(H2,30,34)(H,32,35)