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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(m-tolylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(3-methylbenzyl)piperazino]propionamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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