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

Systemtic Name: N-(2-methylphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methylphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-N-(o-tolyl)propionamide Formula: C21H23F3N4O3 MolecularWeight: 436.42753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N4O3/c1-14-5-3-4-6-17(14)25-20(29)15(2)26-9-11-27(12-10-26)18-8-7-16(21(22,23)24)13-19(18)28(30)31/h3-8,13,15H,9-12H2,1-2H3,(H,25,29)