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

Systemtic Name: 1-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]propyl]pyrazole-4-carboxylic acid Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CCN3C=C(C=N3)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CCN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C16H22N6O3/c1-19-10-13(8-17-19)11-20-4-6-21(7-5-20)15(23)2-3-22-12-14(9-18-22)16(24)25/h8-10,12H,2-7,11H2,1H3,(H,24,25)