3-tert-butyl-1-(4-iodophenyl)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 3-tert-butyl-1-(4-iodophenyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-tert-butyl-1-(4-iodophenyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 3-tert-butyl-1-(4-iodophenyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-tert-butyl-1-(4-iodophenyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-tert-butyl-1-(4-iodophenyl)-6,7-dihydro-5H-indazol-4-one Formula: C17H19IN2O MolecularWeight: 394.25003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=C1C(=O)CCC2)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)C1=NN(C2=C1C(=O)CCC2)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H19IN2O/c1-17(2,3)16-15-13(5-4-6-14(15)21)20(19-16)12-9-7-11(18)8-10-12/h7-10H,4-6H2,1-3H3