1-methyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3/c1-19-15(14(11-18-19)17(23)24)16(22)21-9-7-20(8-10-21)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,23,24)