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

Systemtic Name: 1-(4-iodophenyl)-6-propan-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(4-iodophenyl)-6-isopropyl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(4-iodophenyl)-6-propan-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(4-iodophenyl)-6-propan-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(4-iodophenyl)-6-isopropyl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Formula: C24H33IN2O MolecularWeight: 492.43609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC2=C(C(=O)C1)C(=NN2C3=CC=C(C=C3)I)CC(C)CC(C)(C)C

Isomeric SMILES

CC(C)C1CC2=C(C(=O)C1)C(=NN2C3=CC=C(C=C3)I)CC(C)CC(C)(C)C

InChI

InChI=1S/C24H33IN2O/c1-15(2)17-12-21-23(22(28)13-17)20(11-16(3)14-24(4,5)6)26-27(21)19-9-7-18(25)8-10-19/h7-10,15-17H,11-14H2,1-6H3