3-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C23H19N3O3/c24-11-4-12-26-16-19(23(25-26)17-5-2-1-3-6-17)7-9-20(27)18-8-10-21-22(15-18)29-14-13-28-21/h1-3,5-10,15-16H,4,12-14H2/b9-7+