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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-methylbutanoyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-methylbutanoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-methyl-1-oxobutyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(3-methylbutanoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-isovaleryl-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3CCCC(C3)CN)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3CCCC(C3)CN)C4=CC=CC=C4

InChI

InChI=1S/C29H38N4O3/c1-19(2)13-28(35)33-25-12-11-23(29(36)31-18-21-8-6-7-20(14-21)17-30)15-24(25)32-27(34)16-26(33)22-9-4-3-5-10-22/h3-5,9-12,15,19-21,26H,6-8,13-14,16-18,30H2,1-2H3,(H,31,36)(H,32,34)