1-[2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[4-[(1,3-dimethylpyrazol-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:

CC1=NN(C=C1CN2CCN(CC2)C(=O)CN3C=C(C=N3)C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=O)CN3C=C(C=N3)C(=O)O)C

InChI

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