2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyloxy)-3H-isoindol-1-imine hydrobromide

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyloxy)-3H-isoindol-1-imine hydrobromide Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethoxy)isoindolin-1-imine hydrobromide CAS Name: 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethoxy)-3H-isoindol-1-imine hydrobromide IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethoxy)-3H-isoindol-1-imine hydrobromide Traditional Name: [2-(3,5-dimethylbenzyl)-5-(trifluoromethoxy)isoindolin-1-ylidene]amine hydrobromide Formula: C18H18BrF3N2O MolecularWeight: 415.24753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2CC3=C(C2=N)C=CC(=C3)OC(F)(F)F)C.Br

Isomeric SMILES

CC1=CC(=CC(=C1)CN2CC3=C(C2=N)C=CC(=C3)OC(F)(F)F)C.Br

InChI

InChI=1S/C18H17F3N2O.BrH/c1-11-5-12(2)7-13(6-11)9-23-10-14-8-15(24-18(19,20)21)3-4-16(14)17(23)22;/h3-8,22H,9-10H2,1-2H3;1H