3-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-butan-2-yl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-butan-2-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1R)-1-(azepane-1-carbonyl)propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2R)-1-(1-azepanyl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2R)-1-(azepan-1-yl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1R)-1-(azepane-1-carbonyl)propyl]-1,2,3-benzotriazin-4-one Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-2-15(17(23)20-11-7-3-4-8-12-20)21-16(22)13-9-5-6-10-14(13)18-19-21/h5-6,9-10,15H,2-4,7-8,11-12H2,1H3/t15-/m1/s1