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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-17(31)30-23-11-10-21(26(33)28-16-19-7-5-6-18(12-19)15-27)13-22(23)29-25(32)14-24(30)20-8-3-2-4-9-20/h2-4,8-11,13,18-19,24H,5-7,12,14-16,27H2,1H3,(H,28,33)(H,29,32)