3-[4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H19N3O MolecularWeight: 341.40576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O/c1-17-8-10-18(11-9-17)21(26)13-12-20-16-25(15-5-14-23)24-22(20)19-6-3-2-4-7-19/h2-4,6-13,16H,5,15H2,1H3/b13-12+