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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

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