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

Systemtic Name: 3-azanylidene-2-[2-[3-tert-butyl-5-(cyanomethoxy)-4-methoxy-phenyl]-2-oxidanylidene-ethyl]-6-(dimethylamino)-N-methyl-1H-isoindole-5-carboxamide hydrobromide Openeye Name: 2-[2-[3-tert-butyl-5-(cyanomethoxy)-4-methoxy-phenyl]-2-oxo-ethyl]-6-(dimethylamino)-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide CAS Name: 2-[2-[3-tert-butyl-5-(cyanomethoxy)-4-methoxyphenyl]-2-oxoethyl]-6-(dimethylamino)-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide IUPAC Name: 2-[2-[3-tert-butyl-5-(cyanomethoxy)-4-methoxyphenyl]-2-oxoethyl]-6-(dimethylamino)-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide Traditional Name: 2-[2-[3-tert-butyl-5-(cyanomethoxy)-4-methoxy-phenyl]-2-keto-ethyl]-6-(dimethylamino)-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide Formula: C27H34BrN5O4 MolecularWeight: 572.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)N(C)C)OCC#N)OC.Br

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)NC)N(C)C)OCC#N)OC.Br

InChI

InChI=1S/C27H33N5O4.BrH/c1-27(2,3)20-10-16(12-23(24(20)35-7)36-9-8-28)22(33)15-32-14-17-11-21(31(5)6)19(26(34)30-4)13-18(17)25(32)29;/h10-13,29H,9,14-15H2,1-7H3,(H,30,34);1H