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

Systemtic Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylate Openeye Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[2-[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-pyrazolecarboxylate IUPAC Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylate Traditional Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazino]-2-keto-ethyl]pyrazole-4-carboxylate Formula: C16H21N6O3- MolecularWeight: 345.37634

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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)/p-1