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

Systemtic Name: 3-[4-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(benzofuran-2-yl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(2-benzofuranyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(benzofuran-2-yl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C23H17N3O2 MolecularWeight: 367.39998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC4=CC=CC=C4O3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC4=CC=CC=C4O3)CCC#N

InChI

InChI=1S/C23H17N3O2/c24-13-6-14-26-16-19(23(25-26)17-7-2-1-3-8-17)11-12-20(27)22-15-18-9-4-5-10-21(18)28-22/h1-5,7-12,15-16H,6,14H2/b12-11+