3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3)OC)OC

InChI

InChI=1S/C22H27N5O3/c1-16-12-20(29-2)21(30-3)13-17(16)14-25-8-10-26(11-9-25)15-27-22(28)18-6-4-5-7-19(18)23-24-27/h4-7,12-13H,8-11,14-15H2,1-3H3