ethyl 2-[3-(azepan-1-ylmethyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[3-(azepan-1-ylmethyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: ethyl 2-[3-(azepan-1-ylmethyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(1-azepanylmethyl)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(azepan-1-ylmethyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(azepan-1-ylmethyl)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester Formula: C13H22N4O2 MolecularWeight: 266.33938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=NN1)CN2CCCCCC2

Isomeric SMILES

CCOC(=O)CC1=NC(=NN1)CN2CCCCCC2

InChI

InChI=1S/C13H22N4O2/c1-2-19-13(18)9-11-14-12(16-15-11)10-17-7-5-3-4-6-8-17/h2-10H2,1H3,(H,14,15,16)