1-(4-chloranyl-2,3,5,6-tetradeuterio-phenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(4-chloranyl-2,3,5,6-tetradeuterio-phenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one Openeye Name: 1-(4-chloro-2,3,5,6-tetradeuterio-phenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one CAS Name: 1-(4-chloro-2,3,5,6-tetradeuteriophenoxy)-1-(1-imidazolyl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(4-chloro-2,3,5,6-tetradeuteriophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one Traditional Name: 1-(4-chloro-2,3,5,6-tetradeuterio-phenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one Formula: C15H17ClN2O2 MolecularWeight: 296.785327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1OC(C(=O)C(C)(C)C)N2C=CN=C2)[2H])[2H])Cl)[2H]

InChI

InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/i4D,5D,6D,7D