N-(4-methoxy-2-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C21H23F3N4O4 MolecularWeight: 452.42693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O4/c1-14(20(29)25-18-7-6-17(32-2)13-19(18)28(30)31)26-8-10-27(11-9-26)16-5-3-4-15(12-16)21(22,23)24/h3-7,12-14H,8-11H2,1-2H3,(H,25,29)