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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CN=C3)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CN=C3)C4=CC=C(C=C4)F.Cl

InChI

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