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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c1-27-11-12-28-21(26)17(14-22)13-18-15-25(19-5-3-2-4-6-19)24-20(18)16-7-9-23-10-8-16/h2-10,13,15H,11-12H2,1H3/b17-13+