3-[[6-(hydroxymethyl)-4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methyl-pyrazole-1-carboxylic acid

Systemtic Name: 3-[[6-(hydroxymethyl)-4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methyl-pyrazole-1-carboxylic acid Openeye Name: 3-[tert-butoxycarbonyl-[6-(hydroxymethyl)-3-isopropyl-4-oxo-phthalazin-1-yl]amino]-5-methyl-pyrazole-1-carboxylic acid CAS Name: 3-[[6-(hydroxymethyl)-4-oxo-3-propan-2-yl-1-phthalazinyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-methyl-1-pyrazolecarboxylic acid IUPAC Name: 3-[[6-(hydroxymethyl)-4-oxo-3-propan-2-ylphthalazin-1-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methylpyrazole-1-carboxylic acid Traditional Name: 3-[tert-butoxycarbonyl-(3-isopropyl-4-keto-6-methylol-phthalazin-1-yl)amino]-5-methyl-pyrazole-1-carboxylic acid Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)O)N(C2=NN(C(=O)C3=C2C=CC(=C3)CO)C(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NN1C(=O)O)N(C2=NN(C(=O)C3=C2C=CC(=C3)CO)C(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N5O6/c1-12(2)26-19(29)16-10-14(11-28)7-8-15(16)18(24-26)25(21(32)33-22(4,5)6)17-9-13(3)27(23-17)20(30)31/h7-10,12,28H,11H2,1-6H3,(H,30,31)