5-[[1-[1-(4-ethoxycarbonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-3-methyl-pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1-[1-(4-ethoxycarbonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-3-methyl-pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-[2-(4-ethoxycarbonylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-methyl-pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-[1-(4-ethoxycarbonyl-1-piperazinyl)-1-oxopropan-2-yl]-3-methyl-4-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-[1-(4-ethoxycarbonylpiperazin-1-yl)-1-oxopropan-2-yl]-3-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-[2-(4-carbethoxypiperazino)-2-keto-1-methyl-ethyl]-3-methyl-pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C20H27N7O6 MolecularWeight: 461.47168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C20H27N7O6/c1-5-33-20(32)26-8-6-25(7-9-26)18(29)13(3)27-11-15(12(2)23-27)22-17(28)16-14(19(30)31)10-21-24(16)4/h10-11,13H,5-9H2,1-4H3,(H,22,28)(H,30,31)