3-azanylidene-2-[2-(3-tert-butyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-ethyl]-6-ethoxy-N-methyl-1H-isoindole-5-carboxamide hydrobromide

Systemtic Name: 3-azanylidene-2-[2-(3-tert-butyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-ethyl]-6-ethoxy-N-methyl-1H-isoindole-5-carboxamide hydrobromide Openeye Name: 2-[2-(3-tert-butyl-4,5-dimethoxy-phenyl)-2-oxo-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide CAS Name: 2-[2-(3-tert-butyl-4,5-dimethoxyphenyl)-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide IUPAC Name: 2-[2-(3-tert-butyl-4,5-dimethoxyphenyl)-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide Traditional Name: 2-[2-(3-tert-butyl-4,5-dimethoxy-phenyl)-2-keto-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide Formula: C26H34BrN3O5 MolecularWeight: 548.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)OC)OC)C(C)(C)C)C(=O)NC.Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)OC)OC)C(C)(C)C)C(=O)NC.Br

InChI

InChI=1S/C26H33N3O5.BrH/c1-8-34-21-11-16-13-29(24(27)17(16)12-18(21)25(31)28-5)14-20(30)15-9-19(26(2,3)4)23(33-7)22(10-15)32-6;/h9-12,27H,8,13-14H2,1-7H3,(H,28,31);1H