3-[3-(azepan-1-ylcarbonyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(azepan-1-ylcarbonyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(azepane-1-carbonyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[1-azepanyl(oxo)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(azepane-1-carbonyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(azepane-1-carbonyl)pyrazol-1-yl]propionic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C=C2)CCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C=C2)CCC(=O)O

InChI

InChI=1S/C13H19N3O3/c17-12(18)6-10-16-9-5-11(14-16)13(19)15-7-3-1-2-4-8-15/h5,9H,1-4,6-8,10H2,(H,17,18)