1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazino]-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CCN(CC2)C(=O)CN3C=C(C=N3)C(=O)O

Isomeric SMILES

CCN1C=C(C=N1)CN2CCN(CC2)C(=O)CN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C16H22N6O3/c1-2-21-10-13(7-17-21)9-19-3-5-20(6-4-19)15(23)12-22-11-14(8-18-22)16(24)25/h7-8,10-11H,2-6,9,12H2,1H3,(H,24,25)