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

Systemtic Name: butyl (E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2/c1-2-3-12-29-23(28)20(14-24)13-21-17-27(16-18-8-5-4-6-9-18)26-22(21)19-10-7-11-25-15-19/h4-11,13,15,17H,2-3,12,16H2,1H3/b20-13+