3-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H17N3O3 MolecularWeight: 371.38868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H17N3O3/c23-11-4-12-25-14-18(22(24-25)16-5-2-1-3-6-16)7-9-19(26)17-8-10-20-21(13-17)28-15-27-20/h1-3,5-10,13-14H,4,12,15H2/b9-7+