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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(azepane-1-carbonyl)pyrazol-1-yl]acetate CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-pyrazolyl]acetate IUPAC Name: 2-[4-(azepane-1-carbonyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-(azepane-1-carbonyl)pyrazol-1-yl]acetate Formula: C12H16N3O3- MolecularWeight: 250.27374

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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)/p-1