N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazino]-3-nitro-benzamide Formula: C25H28N6O4 MolecularWeight: 476.52762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O4/c26-16-17-1-3-18(4-2-17)25(33)30-13-11-29(12-14-30)22-10-5-19(15-23(22)31(34)35)24(32)28-21-8-6-20(27)7-9-21/h1-5,10,15,20-21H,6-9,11-14,27H2,(H,28,32)