3-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H24N4O2/c1-27-17-12-10-16(11-13-17)20-9-3-2-6-14-24(20)15-25-21(26)18-7-4-5-8-19(18)22-23-25/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3/t20-/m1/s1