1-(4-chloranylphenoxy)-5-cyclohexyl-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 1-(4-chloranylphenoxy)-5-cyclohexyl-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-(4-chlorophenoxy)-5-cyclohexyl-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-(4-chlorophenoxy)-5-cyclohexyl-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-(4-chlorophenoxy)-5-cyclohexyl-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-(4-chlorophenoxy)-5-cyclohexyl-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-one Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)Cl)C(=O)C(CC2CCCCC2)N3C=NC=N3

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)Cl)C(=O)C(CC2CCCCC2)N3C=NC=N3

InChI

InChI=1S/C21H28ClN3O2/c1-21(2,13-27-18-10-8-17(22)9-11-18)20(26)19(25-15-23-14-24-25)12-16-6-4-3-5-7-16/h8-11,14-16,19H,3-7,12-13H2,1-2H3