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

Systemtic Name: 3-tert-butyl-1-(4-iodophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-tert-butyl-1-(4-iodophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-tert-butyl-1-(4-iodophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-tert-butyl-1-(4-iodophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-tert-butyl-1-(4-iodophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one Formula: C18H21IN2O MolecularWeight: 408.27661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21IN2O/c1-11-9-14-16(15(22)10-11)17(18(2,3)4)20-21(14)13-7-5-12(19)6-8-13/h5-8,11H,9-10H2,1-4H3