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

Systemtic Name: 3-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(3,4-dimethylphenyl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C23H21N3O MolecularWeight: 355.43234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O/c1-17-9-10-20(15-18(17)2)22(27)12-11-21-16-26(14-6-13-24)25-23(21)19-7-4-3-5-8-19/h3-5,7-12,15-16H,6,14H2,1-2H3/b12-11+