N-(2-methyl-5-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(o-tolylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: 2-[4-(2-methylbenzyl)piperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3C

InChI

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