2-[4-[methyl(octyl)amino]phenyl]-3H-benzotriazol-5-one hydrobromide

Systemtic Name: 2-[4-[methyl(octyl)amino]phenyl]-3H-benzotriazol-5-one hydrobromide Openeye Name: 2-[4-[methyl(octyl)amino]phenyl]-3H-benzotriazol-5-one hydrobromide CAS Name: 2-[4-[methyl(octyl)amino]phenyl]-3H-benzotriazol-5-one hydrobromide IUPAC Name: 2-[4-[methyl(octyl)amino]phenyl]-3H-benzotriazol-5-one hydrobromide Traditional Name: 2-[4-[methyl(octyl)amino]phenyl]-3H-benzotriazol-5-one hydrobromide Formula: C21H29BrN4O MolecularWeight: 433.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C)C1=CC=C(C=C1)N2NC3=CC(=O)C=CC3=N2.Br

Isomeric SMILES

CCCCCCCCN(C)C1=CC=C(C=C1)N2NC3=CC(=O)C=CC3=N2.Br

InChI

InChI=1S/C21H28N4O.BrH/c1-3-4-5-6-7-8-15-24(2)17-9-11-18(12-10-17)25-22-20-14-13-19(26)16-21(20)23-25;/h9-14,16,23H,3-8,15H2,1-2H3;1H