(E)-2-(2-methylphenyl)carbonyl-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(2-methylphenyl)carbonyl-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(2-methylbenzoyl)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-[(2-methylphenyl)-oxomethyl]-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(2-methylbenzoyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-o-toluoyl-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acrylonitrile Formula: C25H18N4O MolecularWeight: 390.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H18N4O/c1-18-7-5-6-10-23(18)25(30)20(16-26)15-21-17-29(22-8-3-2-4-9-22)28-24(21)19-11-13-27-14-12-19/h2-15,17H,1H3/b20-15+