3-[4-[(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-(1-oxoindan-2-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-(1-ketoindan-2-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H17N3O MolecularWeight: 339.38988

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C1=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C\1C2=CC=CC=C2C(=O)/C1=C/C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H17N3O/c23-11-6-12-25-15-19(21(24-25)16-7-2-1-3-8-16)14-18-13-17-9-4-5-10-20(17)22(18)26/h1-5,7-10,14-15H,6,12-13H2/b18-14+