4-[2-(diethylamino)phenyl]carbonyl-2-(4-iodophenyl)-3-oxidanyl-1H-pyrazol-5-one

Systemtic Name: 4-[2-(diethylamino)phenyl]carbonyl-2-(4-iodophenyl)-3-oxidanyl-1H-pyrazol-5-one Openeye Name: 4-[2-(diethylamino)benzoyl]-3-hydroxy-2-(4-iodophenyl)-1H-pyrazol-5-one CAS Name: 4-[[2-(diethylamino)phenyl]-oxomethyl]-3-hydroxy-2-(4-iodophenyl)-1H-pyrazol-5-one IUPAC Name: 4-[2-(diethylamino)benzoyl]-3-hydroxy-2-(4-iodophenyl)-1H-pyrazol-5-one Traditional Name: 4-[2-(diethylamino)benzoyl]-5-hydroxy-1-(4-iodophenyl)-3-pyrazolin-3-one Formula: C20H20IN3O3 MolecularWeight: 477.29557

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC=C1C(=O)C2=C(N(NC2=O)C3=CC=C(C=C3)I)O

Isomeric SMILES

CCN(CC)C1=CC=CC=C1C(=O)C2=C(N(NC2=O)C3=CC=C(C=C3)I)O

InChI

InChI=1S/C20H20IN3O3/c1-3-23(4-2)16-8-6-5-7-15(16)18(25)17-19(26)22-24(20(17)27)14-11-9-13(21)10-12-14/h5-12,27H,3-4H2,1-2H3,(H,22,26)