5-bromanyl-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one

Systemtic Name: 5-bromanyl-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one Openeye Name: 5-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one CAS Name: 5-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one IUPAC Name: 5-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one Traditional Name: 5-bromo-3,6,6-trimethyl-1-phenyl-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)C(C(C2)(C)C)Br)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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