2-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]ethanoic acid Openeye Name: 2-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid CAS Name: 2-[3-[[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=NN(C=C3)CC(=O)O

Isomeric SMILES

CCN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=NN(C=C3)CC(=O)O

InChI

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