1-(4-iodophenyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(4-iodophenyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(4-iodophenyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(4-iodophenyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(4-iodophenyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(4-iodophenyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Formula: C21H27IN2O MolecularWeight: 450.35635

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN(C2=C1C(=O)CCC2)C3=CC=C(C=C3)I)CC(C)(C)C

Isomeric SMILES

CC(CC1=NN(C2=C1C(=O)CCC2)C3=CC=C(C=C3)I)CC(C)(C)C

InChI

InChI=1S/C21H27IN2O/c1-14(13-21(2,3)4)12-17-20-18(6-5-7-19(20)25)24(23-17)16-10-8-15(22)9-11-16/h8-11,14H,5-7,12-13H2,1-4H3