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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-[4-[2-(trifluoromethyl)benzoyl]piperazino]propionamide Formula: C22H23F3N4O4 MolecularWeight: 464.43763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H23F3N4O4/c1-15-6-7-16(29(32)33)14-19(15)26-20(30)8-9-27-10-12-28(13-11-27)21(31)17-4-2-3-5-18(17)22(23,24)25/h2-7,14H,8-13H2,1H3,(H,26,30)