(5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H22F3N3O5 MolecularWeight: 453.41169

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22F3N3O5/c1-3-32-19-12-16(17(27(29)30)13-18(19)31-2)20(28)26-9-7-25(8-10-26)15-6-4-5-14(11-15)21(22,23)24/h4-6,11-13H,3,7-10H2,1-2H3