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

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(3-methylbenzoyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-m-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(=C1)C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O/c1-15-6-5-7-17(10-15)20(24)18(12-21)11-16-13-22-23(14-16)19-8-3-2-4-9-19/h2-11,13-14H,1H3/b18-11+