N-(2-methyl-5-nitro-phenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-[4-(m-tolylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: 3-[4-(3-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=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/c1-17-4-3-5-19(14-17)16-25-12-10-24(11-13-25)9-8-22(27)23-21-15-20(26(28)29)7-6-18(21)2/h3-7,14-15H,8-13,16H2,1-2H3,(H,23,27)