ethyl (E)-2-cyano-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]acrylic acid ethyl ester Formula: C16H17F3N4O2 MolecularWeight: 354.32699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N4O2/c1-2-25-15(24)12(9-20)11-22-5-7-23(8-6-22)14-4-3-13(10-21-14)16(17,18)19/h3-4,10-11H,2,5-8H2,1H3/b12-11+