3-azanylidene-2-[2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-2-oxidanylidene-ethyl]-6-ethoxy-N-methyl-1H-isoindole-5-carboxamide hydrobromide

Systemtic Name: 3-azanylidene-2-[2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-2-oxidanylidene-ethyl]-6-ethoxy-N-methyl-1H-isoindole-5-carboxamide hydrobromide Openeye Name: 2-[2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-2-oxo-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide CAS Name: 2-[2-(7-tert-butyl-3-methyl-5-benzimidazolyl)-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide IUPAC Name: 2-[2-(7-tert-butyl-3-methylbenzimidazol-5-yl)-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide hydrobromide Traditional Name: 2-[2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-2-keto-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide hydrobromide Formula: C26H32BrN5O3 MolecularWeight: 542.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(C=N4)C)C(C)(C)C)C(=O)NC.Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(C=N4)C)C(C)(C)C)C(=O)NC.Br

InChI

InChI=1S/C26H31N5O3.BrH/c1-7-34-22-10-16-12-31(24(27)17(16)11-18(22)25(33)28-5)13-21(32)15-8-19(26(2,3)4)23-20(9-15)30(6)14-29-23;/h8-11,14,27H,7,12-13H2,1-6H3,(H,28,33);1H