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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxidanylidene-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(1-oxo-2-phenoxypropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-cyclohexyl-4-keto-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C33H38N4O4 MolecularWeight: 554.67922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3=CC=CC(=C3)CN)C4CCCCC4)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3=CC=CC(=C3)CN)C4CCCCC4)OC5=CC=CC=C5

InChI

InChI=1S/C33H38N4O4/c1-22(41-27-13-6-3-7-14-27)33(40)37-29-16-15-26(32(39)35-21-24-10-8-9-23(17-24)20-34)18-28(29)36-31(38)19-30(37)25-11-4-2-5-12-25/h3,6-10,13-18,22,25,30H,2,4-5,11-12,19-21,34H2,1H3,(H,35,39)(H,36,38)