3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one

Systemtic Name: 3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one Openeye Name: 3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one CAS Name: 3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one IUPAC Name: 3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one Traditional Name: 3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one Formula: C13H20N2O MolecularWeight: 220.3107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC2=C1C(=O)CC(C2)(C)C

Isomeric SMILES

CCCCC1=NNC2=C1C(=O)CC(C2)(C)C

InChI

InChI=1S/C13H20N2O/c1-4-5-6-9-12-10(15-14-9)7-13(2,3)8-11(12)16/h4-8H2,1-3H3,(H,14,15)