3-tert-butyl-6,7-dimethyl-2H-cyclohepta[c]pyrazol-4-one

Systemtic Name: 3-tert-butyl-6,7-dimethyl-2H-cyclohepta[c]pyrazol-4-one Openeye Name: 3-tert-butyl-6,7-dimethyl-2H-cyclohepta[c]pyrazol-4-one CAS Name: 3-tert-butyl-6,7-dimethyl-2H-cyclohepta[c]pyrazol-4-one IUPAC Name: 3-tert-butyl-6,7-dimethyl-2H-cyclohepta[c]pyrazol-4-one Traditional Name: 3-tert-butyl-6,7-dimethyl-2H-cyclohepta[c]pyrazol-4-one Formula: C14H18N2O MolecularWeight: 230.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NNC(=C2C(=O)C=C1C)C(C)(C)C

Isomeric SMILES

CC1=CC2=NNC(=C2C(=O)C=C1C)C(C)(C)C

InChI

InChI=1S/C14H18N2O/c1-8-6-10-12(11(17)7-9(8)2)13(16-15-10)14(3,4)5/h6-7H,1-5H3,(H,15,16)