3-tert-butyl-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 3-tert-butyl-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-tert-butyl-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-tert-butyl-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-tert-butyl-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-tert-butyl-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one Formula: C18H22N2O MolecularWeight: 282.38008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)C(=NN2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1CC2=C(C(=O)C1)C(=NN2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C18H22N2O/c1-12-10-14-16(15(21)11-12)17(18(2,3)4)19-20(14)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3