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

Systemtic Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-phenyl-1-[2-(1-pyrazolyl)ethyl]-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-phenyl-1-(2-pyrazol-1-ylethyl)phthalan-5-carbonitrile hydrochloride Formula: C20H18ClN3O MolecularWeight: 351.82942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O.ClH/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;1H