N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-nitro-benzamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-nitro-benzamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-2-nitro-benzamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-2-nitrobenzamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-nitrobenzamide Traditional Name: N-[4-[4-(m-tolyl)piperazino]butyl]-2-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-18-7-6-8-19(17-18)25-15-13-24(14-16-25)12-5-4-11-23-22(27)20-9-2-3-10-21(20)26(28)29/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,23,27)