1-(4-fluorophenyl)-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile hydrochloride

Systemtic Name: 1-(4-fluorophenyl)-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(4-fluorophenyl)-1-(2-pyrazol-1-ylethyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-(4-fluorophenyl)-1-[2-(1-pyrazolyl)ethyl]-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(4-fluorophenyl)-1-(2-pyrazol-1-ylethyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(4-fluorophenyl)-1-(2-pyrazol-1-ylethyl)phthalan-5-carbonitrile hydrochloride Formula: C20H17ClFN3O MolecularWeight: 369.819883

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=C(C=C4)F.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O.ClH/c21-18-5-3-17(4-6-18)20(8-11-24-10-1-9-23-24)19-7-2-15(13-22)12-16(19)14-25-20;/h1-7,9-10,12H,8,11,14H2;1H