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

Systemtic Name: 1-(4-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(4-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-(4-methoxyphenyl)-1-[3-(1-pyrazolyl)propyl]-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(4-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(4-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)phthalan-5-carbonitrile hydrochloride Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCN4C=CC=N4.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCN4C=CC=N4.Cl

InChI

InChI=1S/C22H21N3O2.ClH/c1-26-20-7-5-19(6-8-20)22(10-2-12-25-13-3-11-24-25)21-9-4-17(15-23)14-18(21)16-27-22;/h3-9,11,13-14H,2,10,12,16H2,1H3;1H