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

Systemtic Name: 3-[4-[(E)-3-(3-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(3-methoxyphenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-keto-3-(3-methoxyphenyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2/c1-27-20-10-5-9-18(15-20)21(26)12-11-19-16-25(14-6-13-23)24-22(19)17-7-3-2-4-8-17/h2-5,7-12,15-16H,6,14H2,1H3/b12-11+