3-(azepan-1-yl)-6-tert-butyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(azepan-1-yl)-6-tert-butyl-2H-1,2,4-triazin-5-one Openeye Name: 3-(azepan-1-yl)-6-tert-butyl-2H-1,2,4-triazin-5-one CAS Name: 3-(1-azepanyl)-6-tert-butyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-(azepan-1-yl)-6-tert-butyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(azepan-1-yl)-6-tert-butyl-2H-1,2,4-triazin-5-one Formula: C13H22N4O MolecularWeight: 250.33998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)N2CCCCCC2

InChI

InChI=1S/C13H22N4O/c1-13(2,3)10-11(18)14-12(16-15-10)17-8-6-4-5-7-9-17/h4-9H2,1-3H3,(H,14,16,18)