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

Systemtic Name: 3-azanylidene-2-[2-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-yl-phenyl)-2-oxidanylidene-ethyl]-6-ethoxy-N-methyl-1H-isoindole-5-carboxamide hydrobromide Openeye Name: 2-[2-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-yl-phenyl)-2-oxo-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide CAS Name: 2-[2-[3-tert-butyl-4-methoxy-5-(1-pyrrolidinyl)phenyl]-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide IUPAC Name: 2-[2-(3-tert-butyl-4-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide Traditional Name: 2-[2-(3-tert-butyl-4-methoxy-5-pyrrolidino-phenyl)-2-keto-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide Formula: C29H39BrN4O4 MolecularWeight: 587.54836

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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)N4CCCC4)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)N4CCCC4)OC)C(C)(C)C)C(=O)NC.Br

InChI

InChI=1S/C29H38N4O4.BrH/c1-7-37-25-14-19-16-33(27(30)20(19)15-21(25)28(35)31-5)17-24(34)18-12-22(29(2,3)4)26(36-6)23(13-18)32-10-8-9-11-32;/h12-15,30H,7-11,16-17H2,1-6H3,(H,31,35);1H