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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]acetamide Formula: C20H21F3N4O4 MolecularWeight: 438.40035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N4O4/c1-31-16-5-6-17(18(12-16)27(29)30)24-19(28)13-25-7-9-26(10-8-25)15-4-2-3-14(11-15)20(21,22)23/h2-6,11-12H,7-10,13H2,1H3,(H,24,28)