2-[4-(azepan-1-ylcarbonyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(azepane-1-carbonyl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(azepane-1-carbonyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(azepane-1-carbonyl)pyrazol-1-yl]acetic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN(N=C2)CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN(N=C2)CC(=O)O

InChI

InChI=1S/C12H17N3O3/c16-11(17)9-15-8-10(7-13-15)12(18)14-5-3-1-2-4-6-14/h7-8H,1-6,9H2,(H,16,17)