3-[4-[(E)-3-(2,5-dimethylfuran-3-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(2,5-dimethylfuran-3-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(2,5-dimethyl-3-furyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(2,5-dimethyl-3-furanyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(2,5-dimethylfuran-3-yl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(2,5-dimethyl-3-furyl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H19N3O2/c1-15-13-19(16(2)26-15)20(25)10-9-18-14-24(12-6-11-22)23-21(18)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,12H2,1-2H3/b10-9+