2-methyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-pyrazole-3-carboxylic acid Openeye Name: 2-methyl-4-[4-(2-thienylmethyl)piperazine-1-carbonyl]pyrazole-3-carboxylic acid CAS Name: 2-methyl-4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-3-carboxylic acid Traditional Name: 2-methyl-4-[4-(2-thenyl)piperazine-1-carbonyl]pyrazole-3-carboxylic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=CC=CS3)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C15H18N4O3S/c1-17-13(15(21)22)12(9-16-17)14(20)19-6-4-18(5-7-19)10-11-3-2-8-23-11/h2-3,8-9H,4-7,10H2,1H3,(H,21,22)