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

Systemtic Name: 3-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[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=NN(C=C3)CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=NN(C=C3)CCC(=O)O

InChI

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