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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(o-tolylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: 2-[4-(2-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=C1CN2CCN(CC2)C(C)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-16-7-4-5-8-19(16)15-24-11-13-25(14-12-24)18(3)22(27)23-20-9-6-10-21(17(20)2)26(28)29/h4-10,18H,11-15H2,1-3H3,(H,23,27)