N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-toluoyl-1,4-diazepan-1-yl)-3-nitro-benzamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O4/c1-18-4-2-5-20(16-18)26(33)30-13-3-12-29(14-15-30)23-11-6-19(17-24(23)31(34)35)25(32)28-22-9-7-21(27)8-10-22/h2,4-6,11,16-17,21-22H,3,7-10,12-15,27H2,1H3,(H,28,32)