prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acrylic acid allyl ester Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(=CC1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

C=CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H16N4O2/c1-2-12-27-21(26)17(14-22)13-18-15-25(19-6-4-3-5-7-19)24-20(18)16-8-10-23-11-9-16/h2-11,13,15H,1,12H2/b17-13+