1-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylate

Systemtic Name: 1-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylate Openeye Name: 1-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylate CAS Name: 1-[3-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylate IUPAC Name: 1-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylate Traditional Name: 1-[3-keto-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]propyl]pyrazole-3-carboxylate Formula: C16H21N6O3- MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CCN3C=CC(=N3)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CCN3C=CC(=N3)C(=O)[O-]

InChI

InChI=1S/C16H22N6O3/c1-19-11-13(10-17-19)12-20-6-8-21(9-7-20)15(23)3-5-22-4-2-14(18-22)16(24)25/h2,4,10-11H,3,5-9,12H2,1H3,(H,24,25)/p-1