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

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-[3-(1-imidazolyl)propyl]-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)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=CN=C4.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCN4C=CN=C4.Cl

InChI

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