3-methoxy-4-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethoxy]-3-methoxy-benzonitrile Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3/c1-29-19-11-15(13-25)5-6-18(19)30-14-20(28)27-9-7-26(8-10-27)17-4-2-3-16(12-17)21(22,23)24/h2-6,11-12H,7-10,14H2,1H3