6-methyl-3-(2-methylpropyl)-1-(4-propan-2-ylphenyl)-5,6-dihydro-4H-indazol-7-one

Systemtic Name: 6-methyl-3-(2-methylpropyl)-1-(4-propan-2-ylphenyl)-5,6-dihydro-4H-indazol-7-one Openeye Name: 3-isobutyl-1-(4-isopropylphenyl)-6-methyl-5,6-dihydro-4H-indazol-7-one CAS Name: 6-methyl-3-(2-methylpropyl)-1-(4-propan-2-ylphenyl)-5,6-dihydro-4H-indazol-7-one IUPAC Name: 6-methyl-3-(2-methylpropyl)-1-(4-propan-2-ylphenyl)-5,6-dihydro-4H-indazol-7-one Traditional Name: 3-isobutyl-6-methyl-1-p-cumenyl-5,6-dihydro-4H-indazol-7-one Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1=O)N(N=C2CC(C)C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1CCC2=C(C1=O)N(N=C2CC(C)C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H28N2O/c1-13(2)12-19-18-11-6-15(5)21(24)20(18)23(22-19)17-9-7-16(8-10-17)14(3)4/h7-10,13-15H,6,11-12H2,1-5H3