4-[(2-iodanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(2-iodanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(2-iodo-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2-iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2-iodo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(2-iodo-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C19H22IN3O2 MolecularWeight: 451.30135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=O)CC(C3)(C)C)I

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C(=O)CC(C3)(C)C)I

InChI

InChI=1S/C19H22IN3O2/c1-12-17(21-14-10-19(2,3)11-15(24)16(14)20)18(25)23(22(12)4)13-8-6-5-7-9-13/h5-9,21H,10-11H2,1-4H3