1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C=N2)C(=O)O

InChI

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