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

Systemtic Name: 3-(cyclobutylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclobutylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 3-(cyclobutylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclobutylmethyl)-N'-[1-[[3-(2,4-dichlorophenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclobutylmethyl)-N'-[1-[3-(2,4-dichlorophenyl)benzyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C40H38Cl2N4O3 MolecularWeight: 693.66072

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCC1)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

C=CCC(C(CC1CCC1)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/C40H38Cl2N4O3/c1-2-10-31(37(43)47)33(22-25-11-8-12-25)39(48)45-38-40(49)46(24-26-13-9-16-28(21-26)30-20-19-29(41)23-34(30)42)35-18-7-6-17-32(35)36(44-38)27-14-4-3-5-15-27/h2-7,9,13-21,23,25,31,33,38H,1,8,10-12,22,24H2,(H2,43,47)(H,45,48)