1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazino]-2-keto-ethyl]pyrazole-3-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=CC(=N3)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)CN2CCN(CC2)C(=O)CN3C=CC(=N3)C(=O)[O-]

InChI

InChI=1S/C16H22N6O3/c1-2-21-11-13(9-17-21)10-19-5-7-20(8-6-19)15(23)12-22-4-3-14(18-22)16(24)25/h3-4,9,11H,2,5-8,10,12H2,1H3,(H,24,25)/p-1