N-[(5-bromanyl-2-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC3=C(C=C2)N4CCCCCC4=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC3=C(C=C2)N4CCCCCC4=N3

InChI

InChI=1S/C21H22BrN3O2/c1-27-19-9-7-16(22)11-15(19)13-23-21(26)14-6-8-18-17(12-14)24-20-5-3-2-4-10-25(18)20/h6-9,11-12H,2-5,10,13H2,1H3,(H,23,26)