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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H18N4O/c1-18-6-5-7-20(14-18)25(30)21(16-26)15-22-17-29(23-8-3-2-4-9-23)28-24(22)19-10-12-27-13-11-19/h2-15,17H,1H3/b21-15+