3-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H28N6O2/c27-19(25-9-5-1-2-6-10-25)15-23-11-13-24(14-12-23)16-26-20(28)17-7-3-4-8-18(17)21-22-26/h3-4,7-8H,1-2,5-6,9-16H2