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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-toluoylpiperazino)-3-nitro-benzamide Formula: C25H31N5O4 MolecularWeight: 465.54474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O4/c1-17-3-2-4-19(15-17)25(32)29-13-11-28(12-14-29)22-10-5-18(16-23(22)30(33)34)24(31)27-21-8-6-20(26)7-9-21/h2-5,10,15-16,20-21H,6-9,11-14,26H2,1H3,(H,27,31)