3,6,6-trimethyl-1-(phenylmethyl)-5,7-dihydroindazol-4-one

Systemtic Name: 3,6,6-trimethyl-1-(phenylmethyl)-5,7-dihydroindazol-4-one Openeye Name: 1-benzyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one CAS Name: 3,6,6-trimethyl-1-(phenylmethyl)-5,7-dihydroindazol-4-one IUPAC Name: 1-benzyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-benzyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one Formula: C17H20N2O MolecularWeight: 268.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O/c1-12-16-14(9-17(2,3)10-15(16)20)19(18-12)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3