ethyl (E)-2-cyano-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[3-(trifluoromethyl)phenyl]piperazino]acrylic acid ethyl ester Formula: C17H18F3N3O2 MolecularWeight: 353.33893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)/C#N

InChI

InChI=1S/C17H18F3N3O2/c1-2-25-16(24)13(11-21)12-22-6-8-23(9-7-22)15-5-3-4-14(10-15)17(18,19)20/h3-5,10,12H,2,6-9H2,1H3/b13-12+