7-(4-chlorophenyl)-2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)heptan-3-one

Systemtic Name: 7-(4-chlorophenyl)-2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)heptan-3-one Openeye Name: 7-(4-chlorophenyl)-2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)heptan-3-one CAS Name: 7-(4-chlorophenyl)-2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)-3-heptanone IUPAC Name: 7-(4-chlorophenyl)-2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)heptan-3-one Traditional Name: 7-(4-chlorophenyl)-2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)heptan-3-one Formula: C18H24ClN3O MolecularWeight: 333.85566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)CC(C(=O)C(C)(C)C)N2C=NC=N2

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)CC(C(=O)C(C)(C)C)N2C=NC=N2

InChI

InChI=1S/C18H24ClN3O/c1-13(9-14-5-7-15(19)8-6-14)10-16(17(23)18(2,3)4)22-12-20-11-21-22/h5-8,11-13,16H,9-10H2,1-4H3