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

Systemtic Name: 1-(4-fluorophenyl)-1-(3-pyrazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(4-fluorophenyl)-1-(3-pyrazol-1-ylpropyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-(4-fluorophenyl)-1-[3-(1-pyrazolyl)propyl]-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(4-fluorophenyl)-1-(3-pyrazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(4-fluorophenyl)-1-(3-pyrazol-1-ylpropyl)phthalan-5-carbonitrile hydrochloride Formula: C21H19ClFN3O MolecularWeight: 383.846463

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN3C=CC=N3)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN3C=CC=N3)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C21H18FN3O.ClH/c22-19-6-4-18(5-7-19)21(9-1-11-25-12-2-10-24-25)20-8-3-16(14-23)13-17(20)15-26-21;/h2-8,10,12-13H,1,9,11,15H2;1H