2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C(=CC=N2)C(=O)O

InChI

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