1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-(azepan-1-yl)-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-(1-azepanyl)-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(azepan-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-(azepan-1-yl)-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c17-12(15-6-3-1-2-4-7-15)5-8-16-10-11(9-14-16)13(18)19/h9-10H,1-8H2,(H,18,19)