N-(2-methyl-3-nitro-phenyl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(o-tolylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-[(2-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: 3-[4-(2-methylbenzyl)piperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N4O3/c1-17-6-3-4-7-19(17)16-25-14-12-24(13-15-25)11-10-22(27)23-20-8-5-9-21(18(20)2)26(28)29/h3-9H,10-16H2,1-2H3,(H,23,27)