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

Systemtic Name: 1-(4-iodophenyl)-6-methyl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(4-iodophenyl)-6-methyl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(4-iodophenyl)-6-methyl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(4-iodophenyl)-6-methyl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(4-iodophenyl)-6-methyl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Formula: C22H29IN2O MolecularWeight: 464.38293

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)C(=NN2C3=CC=C(C=C3)I)CC(C)CC(C)(C)C

Isomeric SMILES

CC1CC2=C(C(=O)C1)C(=NN2C3=CC=C(C=C3)I)CC(C)CC(C)(C)C

InChI

InChI=1S/C22H29IN2O/c1-14-11-19-21(20(26)12-14)18(10-15(2)13-22(3,4)5)24-25(19)17-8-6-16(23)7-9-17/h6-9,14-15H,10-13H2,1-5H3