ethyl 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]-1H-pyrazole-5-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: ethyl 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]-1H-pyrazole-5-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; ethyl 3-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]-1H-pyrazole-5-carboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C23H30N6O10 MolecularWeight: 550.5185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H22N6O3.C6H8O7/c1-2-26-17(25)13-11-14(21-20-13)19-16(24)12-22-7-9-23(10-8-22)15-5-3-4-6-18-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,11H,2,7-10,12H2,1H3,(H2,19,20,21,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)