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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O4/c27-17-18-2-4-19(5-3-18)26(34)31-13-1-12-30(14-15-31)23-11-6-20(16-24(23)32(35)36)25(33)29-22-9-7-21(28)8-10-22/h2-6,11,16,21-22H,1,7-10,12-15,28H2,(H,29,33)