2-[[3-(benzotriazol-2-yl)-5-butyl-2-oxidanyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-5-butyl-2-oxidanyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-(2-benzotriazolyl)-5-butyl-2-hydroxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(benzotriazol-2-yl)-5-butyl-2-hydroxy-benzyl]isoindoline-1,3-quinone Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H22N4O3/c1-2-3-8-16-13-17(15-28-24(31)18-9-4-5-10-19(18)25(28)32)23(30)22(14-16)29-26-20-11-6-7-12-21(20)27-29/h4-7,9-14,30H,2-3,8,15H2,1H3