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

Systemtic Name: 3-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)OC

InChI

InChI=1S/C23H21N3O3/c1-28-21-12-10-18(15-22(21)29-2)20(27)11-9-19-16-26(14-6-13-24)25-23(19)17-7-4-3-5-8-17/h3-5,7-12,15-16H,6,14H2,1-2H3/b11-9+