N-[[3-(aminomethyl)phenyl]methyl]-1-(3-bromophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-bromophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(3-bromophenyl)-oxomethyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(3-bromobenzoyl)-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H33BrN4O3 MolecularWeight: 589.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C31H33BrN4O3/c32-25-11-5-10-24(15-25)31(39)36-27-13-12-23(30(38)34-19-21-7-4-6-20(14-21)18-33)16-26(27)35-29(37)17-28(36)22-8-2-1-3-9-22/h4-7,10-16,22,28H,1-3,8-9,17-19,33H2,(H,34,38)(H,35,37)