N-[(1R)-1-(6-bromanyl-1H-benzimidazol-2-yl)-2-oxidanyl-ethyl]-3-methyl-4-(2-oxidanylidene-1,3-oxazepan-3-yl)benzamide

Systemtic Name: N-[(1R)-1-(6-bromanyl-1H-benzimidazol-2-yl)-2-oxidanyl-ethyl]-3-methyl-4-(2-oxidanylidene-1,3-oxazepan-3-yl)benzamide Openeye Name: N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)benzamide CAS Name: N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxyethyl]-3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)benzamide IUPAC Name: N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxyethyl]-3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)benzamide Traditional Name: N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-4-(2-keto-1,3-oxazepan-3-yl)-3-methyl-benzamide Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CO)C2=NC3=C(N2)C=C(C=C3)Br)N4CCCCOC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](CO)C2=NC3=C(N2)C=C(C=C3)Br)N4CCCCOC4=O

InChI

InChI=1S/C22H23BrN4O4/c1-13-10-14(4-7-19(13)27-8-2-3-9-31-22(27)30)21(29)26-18(12-28)20-24-16-6-5-15(23)11-17(16)25-20/h4-7,10-11,18,28H,2-3,8-9,12H2,1H3,(H,24,25)(H,26,29)/t18-/m0/s1