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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-cyclopropylcarbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-(cyclopropanecarbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-[cyclopropyl(oxo)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-(cyclopropanecarbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-cyclohexyl-1-(cyclopropanecarbonyl)-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4CC4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4CC4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C28H34N4O3/c29-16-18-5-4-6-19(13-18)17-30-27(34)22-11-12-24-23(14-22)31-26(33)15-25(20-7-2-1-3-8-20)32(24)28(35)21-9-10-21/h4-6,11-14,20-21,25H,1-3,7-10,15-17,29H2,(H,30,34)(H,31,33)