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

Systemtic Name: 3-(cyclopropylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide Openeye Name: 3-(cyclopropylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide CAS Name: 3-(cyclopropylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide IUPAC Name: 3-(cyclopropylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide Traditional Name: 3-(cyclopropylmethyl)-N'-[1-[3-(2,4-dichlorophenyl)benzyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-succinamide Formula: C39H38Cl2N4O3 MolecularWeight: 681.65002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC=CC(=C5)C6=C(C=C(C=C6)Cl)Cl)C(=O)N

Isomeric SMILES

CCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC=CC(=C5)C6=C(C=C(C=C6)Cl)Cl)C(=O)N

InChI

InChI=1S/C39H38Cl2N4O3/c1-2-9-30(36(42)46)32(21-24-16-17-24)38(47)44-37-39(48)45(23-25-10-8-13-27(20-25)29-19-18-28(40)22-33(29)41)34-15-7-6-14-31(34)35(43-37)26-11-4-3-5-12-26/h3-8,10-15,18-20,22,24,30,32,37H,2,9,16-17,21,23H2,1H3,(H2,42,46)(H,44,47)