4-[(3-methylimidazol-4-yl)-phenylmethoxy-methyl]-2-(2-propan-2-ylphenyl)benzenecarbonitrile hydrochloride

Systemtic Name: 4-[(3-methylimidazol-4-yl)-phenylmethoxy-methyl]-2-(2-propan-2-ylphenyl)benzenecarbonitrile hydrochloride Openeye Name: 4-[benzyloxy-(3-methylimidazol-4-yl)methyl]-2-(2-isopropylphenyl)benzonitrile hydrochloride CAS Name: 4-[(3-methyl-4-imidazolyl)-phenylmethoxymethyl]-2-(2-propan-2-ylphenyl)benzonitrile hydrochloride IUPAC Name: 4-[(3-methylimidazol-4-yl)-phenylmethoxymethyl]-2-(2-propan-2-ylphenyl)benzonitrile hydrochloride Traditional Name: 4-[benzoxy-(3-methylimidazol-4-yl)methyl]-2-o-cumenyl-benzonitrile hydrochloride Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC=CC=C4)C#N.Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC=CC=C4)C#N.Cl

InChI

InChI=1S/C28H27N3O.ClH/c1-20(2)24-11-7-8-12-25(24)26-15-22(13-14-23(26)16-29)28(27-17-30-19-31(27)3)32-18-21-9-5-4-6-10-21;/h4-15,17,19-20,28H,18H2,1-3H3;1H