2-butyl-N'-[5-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)butanediamide

Systemtic Name: 2-butyl-N'-[5-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)butanediamide Openeye Name: 2-butyl-N'-[5-[[3-(3-chloro-4-fluoro-phenyl)phenyl]methyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)butanediamide CAS Name: 2-butyl-N'-[5-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)butanediamide IUPAC Name: 2-butyl-N'-[5-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)butanediamide Traditional Name: 2-butyl-N'-[5-[3-(3-chloro-4-fluoro-phenyl)benzyl]-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(cyclopropylmethyl)succinamide Formula: C40H42ClFN4O3 MolecularWeight: 681.237883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC4=CC=CC(=C4)C5=CC(=C(C=C5)F)Cl)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CC1)C(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC4=CC=CC(=C4)C5=CC(=C(C=C5)F)Cl)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C40H42ClFN4O3/c1-2-3-14-31(38(43)47)32(22-26-17-18-26)39(48)44-35-25-45(30-12-5-4-6-13-30)36-15-7-8-16-37(36)46(40(35)49)24-27-10-9-11-28(21-27)29-19-20-34(42)33(41)23-29/h4-13,15-16,19-21,23,26,31-32,35H,2-3,14,17-18,22,24-25H2,1H3,(H2,43,47)(H,44,48)