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

Systemtic Name: butyl (E)-2-cyano-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2/c1-2-3-12-28-22(27)18(14-23)13-19-16-26(20-9-5-4-6-10-20)25-21(19)17-8-7-11-24-15-17/h4-11,13,15-16H,2-3,12H2,1H3/b18-13+