4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one; 5-methyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Systemtic Name: 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one; 5-methyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Openeye Name: 4-[3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-methyl-pyridine-3-carboxylic acid; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: 4-[[3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one; 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid IUPAC Name: 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one; 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-methyl-nicotinic acid; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid; 4-[3-(2-isoxazolin-3-yl)-4-mesyl-2-methyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C43H49N9O11S MolecularWeight: 899.96786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C.CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C.CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C

Isomeric SMILES

CC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C.CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C.CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C16H17N3O5S.C14H17N3O3.C13H15N3O3/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12;1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10;1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-5,8,17H,6-7H2,1-3H3;5-7H,1-4H3,(H,18,19)(H,16,17,20);4-7H,1-3H3,(H,17,18)(H,15,16,19)