3-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-1,2,3-benzotriazin-4-one Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H20N4O2/c1-12(15(21)19-10-6-2-3-7-11-19)20-16(22)13-8-4-5-9-14(13)17-18-20/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3/t12-/m0/s1