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

Systemtic Name: methyl (E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2/c1-26-20(25)17(11-21)10-18-14-24(13-15-6-3-2-4-7-15)23-19(18)16-8-5-9-22-12-16/h2-10,12,14H,13H2,1H3/b17-10+