2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-2-(3,3-dimethyl-2H-1-benzofuran-7-yl)-N-methyl-3-oxidanylidene-butanamide hydrobromide

Systemtic Name: 2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-2-(3,3-dimethyl-2H-1-benzofuran-7-yl)-N-methyl-3-oxidanylidene-butanamide hydrobromide Openeye Name: 2-(3-benzyl-2-imino-benzimidazol-1-yl)-2-(3,3-dimethyl-2H-benzofuran-7-yl)-N-methyl-3-oxo-butanamide hydrobromide CAS Name: 2-(3,3-dimethyl-2H-benzofuran-7-yl)-2-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]-N-methyl-3-oxobutanamide hydrobromide IUPAC Name: 2-(3-benzyl-2-iminobenzimidazol-1-yl)-2-(3,3-dimethyl-2H-1-benzofuran-7-yl)-N-methyl-3-oxobutanamide hydrobromide Traditional Name: 2-(3-benzyl-2-imino-benzimidazol-1-yl)-2-(3,3-dimethylcoumaran-7-yl)-3-keto-N-methyl-butyramide hydrobromide Formula: C29H31BrN4O3 MolecularWeight: 563.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC2=C1OCC2(C)C)(C(=O)NC)N3C4=CC=CC=C4N(C3=N)CC5=CC=CC=C5.Br

Isomeric SMILES

CC(=O)C(C1=CC=CC2=C1OCC2(C)C)(C(=O)NC)N3C4=CC=CC=C4N(C3=N)CC5=CC=CC=C5.Br

InChI

InChI=1S/C29H30N4O3.BrH/c1-19(34)29(26(35)31-4,22-14-10-13-21-25(22)36-18-28(21,2)3)33-24-16-9-8-15-23(24)32(27(33)30)17-20-11-6-5-7-12-20;/h5-16,30H,17-18H2,1-4H3,(H,31,35);1H