3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4-acetylphenyl)piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N5O2/c1-15(26)16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-25-20(27)18-4-2-3-5-19(18)21-22-25/h2-9H,10-14H2,1H3