3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxo-hexyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-oxohexyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[6-[4-(2,3-dimethylphenyl)piperazino]-6-keto-hexyl]-1,2,3-benzotriazin-4-one Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C25H31N5O2/c1-19-9-8-12-23(20(19)2)28-15-17-29(18-16-28)24(31)13-4-3-7-14-30-25(32)21-10-5-6-11-22(21)26-27-30/h5-6,8-12H,3-4,7,13-18H2,1-2H3