ethyl (E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H18N4O2/c1-2-27-21(26)18(12-22)11-19-15-25(14-16-7-4-3-5-8-16)24-20(19)17-9-6-10-23-13-17/h3-11,13,15H,2,14H2,1H3/b18-11+