(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-m-toluoyl-acrylonitrile Formula: C23H18N4O MolecularWeight: 366.41522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O/c1-17-7-5-10-19(13-17)23(28)20(15-25)14-21-16-27(12-6-11-24)26-22(21)18-8-3-2-4-9-18/h2-5,7-10,13-14,16H,6,12H2,1H3/b20-14+