1-cycloheptyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 1-cycloheptyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-cycloheptyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-cycloheptyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-cycloheptyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-cycloheptyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C16H27N3O MolecularWeight: 277.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CC1CCCCCC1)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(CC1CCCCCC1)N2C=NC=N2

InChI

InChI=1S/C16H27N3O/c1-16(2,3)15(20)14(19-12-17-11-18-19)10-13-8-6-4-5-7-9-13/h11-14H,4-10H2,1-3H3