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

Systemtic Name: 3-[3-[4-(phenylmethyl)piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]propionic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN(C=C3)CCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN(C=C3)CCC(=O)O

InChI

InChI=1S/C18H22N4O3/c23-17(24)7-9-22-8-6-16(19-22)18(25)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-6,8H,7,9-14H2,(H,23,24)