1-phenyl-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-phenyl-1-[2-(1-pyrazolyl)ethyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)phthalan-5-carbonitrile Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O/c21-14-16-7-8-19-17(13-16)15-24-20(19,18-5-2-1-3-6-18)9-12-23-11-4-10-22-23/h1-8,10-11,13H,9,12,15H2