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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-naphthalen-2-ylcarbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-(naphthalene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-[2-naphthalenyl(oxo)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-(naphthalene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-cyclohexyl-4-keto-1-(2-naphthoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C35H36N4O3 MolecularWeight: 560.68534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C3)C(=O)NCC6=CC=CC(=C6)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C3)C(=O)NCC6=CC=CC(=C6)CN

InChI

InChI=1S/C35H36N4O3/c36-21-23-7-6-8-24(17-23)22-37-34(41)28-15-16-31-30(19-28)38-33(40)20-32(26-10-2-1-3-11-26)39(31)35(42)29-14-13-25-9-4-5-12-27(25)18-29/h4-9,12-19,26,32H,1-3,10-11,20-22,36H2,(H,37,41)(H,38,40)