3-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=CN(N=C3)CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=CN(N=C3)CCC(=O)O

InChI

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