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

Systemtic Name: prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(3-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=CN=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

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