1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one hydrochloride

Systemtic Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one hydrochloride Openeye Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one hydrochloride CAS Name: 1-[4-(4-chlorophenyl)phenoxy]-1-(1-imidazolyl)-3,3-dimethyl-2-butanone hydrochloride IUPAC Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethylbutan-2-one hydrochloride Traditional Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one hydrochloride Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C21H21ClN2O2.ClH/c1-21(2,3)19(25)20(24-13-12-23-14-24)26-18-10-6-16(7-11-18)15-4-8-17(22)9-5-15;/h4-14,20H,1-3H3;1H