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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(o-tolylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(2-methylbenzyl)piperazino]propionamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c1-15-5-3-4-6-17(15)14-24-9-11-25(12-10-24)16(2)21(27)23-20-13-18(26(28)29)7-8-19(20)22/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27)