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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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