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

Systemtic Name: 2-butyl-N'-[1-(cyclopropylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)butanediamide Openeye Name: 2-butyl-N'-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: 2-butyl-N'-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)butanediamide IUPAC Name: 2-butyl-N'-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)butanediamide Traditional Name: 2-butyl-N'-[1-(cyclopropylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C31H40N4O3 MolecularWeight: 516.6743

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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)CC4CC4)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4CC4)C(=O)N

InChI

InChI=1S/C31H40N4O3/c1-4-5-13-23(28(32)36)25(18-20(2)3)30(37)34-29-31(38)35(19-21-16-17-21)26-15-10-9-14-24(26)27(33-29)22-11-7-6-8-12-22/h6-12,14-15,20-21,23,25,29H,4-5,13,16-19H2,1-3H3,(H2,32,36)(H,34,37)