ethyl 2-cyano-3-(3-phenyl-1-pyridin-4-ylcarbonyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-(3-phenyl-1-pyridin-4-ylcarbonyl-pyrazol-4-yl)prop-2-enoate Openeye Name: ethyl 2-cyano-3-[3-phenyl-1-(pyridine-4-carbonyl)pyrazol-4-yl]prop-2-enoate CAS Name: 2-cyano-3-[1-[oxo(pyridin-4-yl)methyl]-3-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[3-phenyl-1-(pyridine-4-carbonyl)pyrazol-4-yl]prop-2-enoate Traditional Name: 2-cyano-3-(1-isonicotinoyl-3-phenyl-pyrazol-4-yl)acrylic acid ethyl ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3/c1-2-28-21(27)17(13-22)12-18-14-25(20(26)16-8-10-23-11-9-16)24-19(18)15-6-4-3-5-7-15/h3-12,14H,2H2,1H3