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

Systemtic Name: 1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Formula: C16H17BrN2O MolecularWeight: 333.22298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O/c1-10-15-13(8-16(2,3)9-14(15)20)19(18-10)12-6-4-11(17)5-7-12/h4-7H,8-9H2,1-3H3