1-(cyanomethyl)-2-[(2-methyl-6-propan-2-yl-phenyl)methylcarbamoyl]-3-oxidanylidene-indazole-7-carboxylic acid

Systemtic Name: 1-(cyanomethyl)-2-[(2-methyl-6-propan-2-yl-phenyl)methylcarbamoyl]-3-oxidanylidene-indazole-7-carboxylic acid Openeye Name: 1-(cyanomethyl)-2-[(2-isopropyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-indazole-7-carboxylic acid CAS Name: 1-(cyanomethyl)-2-[[(2-methyl-6-propan-2-ylphenyl)methylamino]-oxomethyl]-3-oxo-7-indazolecarboxylic acid IUPAC Name: 1-(cyanomethyl)-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid Traditional Name: 1-(cyanomethyl)-2-[(2-isopropyl-6-methyl-benzyl)carbamoyl]-3-keto-indazoline-7-carboxylic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)CNC(=O)N2C(=O)C3=C(N2CC#N)C(=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)CNC(=O)N2C(=O)C3=C(N2CC#N)C(=CC=C3)C(=O)O

InChI

InChI=1S/C22H22N4O4/c1-13(2)15-7-4-6-14(3)18(15)12-24-22(30)26-20(27)16-8-5-9-17(21(28)29)19(16)25(26)11-10-23/h4-9,13H,11-12H2,1-3H3,(H,24,30)(H,28,29)