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

Systemtic Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[4-(3-chlorobenzyl)piperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-16-13-19(26(28)29)5-6-20(16)23-21(27)7-8-24-9-11-25(12-10-24)15-17-3-2-4-18(22)14-17/h2-6,13-14H,7-12,15H2,1H3,(H,23,27)