1-[2-(azepan-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(1-azepanyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(azepan-1-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)ethyl]triazole-4-carboxylic acid Formula: C11H18N4O2 MolecularWeight: 238.28622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O2/c16-11(17)10-9-15(13-12-10)8-7-14-5-3-1-2-4-6-14/h9H,1-8H2,(H,16,17)