(E)-2-(2-methylphenyl)carbonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(2-methylphenyl)carbonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(2-methylbenzoyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-[(2-methylphenyl)-oxomethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(2-methylbenzoyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-o-toluoyl-3-(1-phenylpyrazol-4-yl)acrylonitrile Formula: C20H15N3O MolecularWeight: 313.3526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O/c1-15-7-5-6-10-19(15)20(24)17(12-21)11-16-13-22-23(14-16)18-8-3-2-4-9-18/h2-11,13-14H,1H3/b17-11+