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

Systemtic Name: propan-2-yl (E)-2-cyano-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2/c1-15(2)27-21(26)17(12-22)11-18-14-25(19-8-4-3-5-9-19)24-20(18)16-7-6-10-23-13-16/h3-11,13-15H,1-2H3/b17-11+