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

Systemtic Name: 1-(2-imidazol-1-ylethyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(2-imidazol-1-ylethyl)-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-[2-(1-imidazolyl)ethyl]-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(2-imidazol-1-ylethyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(2-imidazol-1-ylethyl)-1-(4-methoxyphenyl)phthalan-5-carbonitrile hydrochloride Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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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)CCN4C=CN=C4.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCN4C=CN=C4.Cl

InChI

InChI=1S/C21H19N3O2.ClH/c1-25-19-5-3-18(4-6-19)21(8-10-24-11-9-23-15-24)20-7-2-16(13-22)12-17(20)14-26-21;/h2-7,9,11-12,15H,8,10,14H2,1H3;1H