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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-keto-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H39N5O5 MolecularWeight: 561.67186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C31H39N5O5/c32-18-20-6-4-7-21(14-20)19-33-30(38)23-12-13-27-26(16-23)34-29(37)17-28(22-8-2-1-3-9-22)35(27)31(39)24-10-5-11-25(15-24)36(40)41/h5,10-13,15-16,20-22,28H,1-4,6-9,14,17-19,32H2,(H,33,38)(H,34,37)