2-[3-(azepan-1-ylcarbonyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(azepan-1-ylcarbonyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3-(azepane-1-carbonyl)pyrazol-1-yl]acetic acid CAS Name: 2-[3-[1-azepanyl(oxo)methyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3-(azepane-1-carbonyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[3-(azepane-1-carbonyl)pyrazol-1-yl]acetic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c16-11(17)9-15-8-5-10(13-15)12(18)14-6-3-1-2-4-7-14/h5,8H,1-4,6-7,9H2,(H,16,17)