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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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