2-(3-methyl-5-oxidanylidene-azepan-1-yl)-N-[2,4,6-tris(fluoranyl)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-(3-methyl-5-oxidanylidene-azepan-1-yl)-N-[2,4,6-tris(fluoranyl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-(3-methyl-5-oxo-azepan-1-yl)-N-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-(3-methyl-5-oxo-1-azepanyl)-N-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-(3-methyl-5-oxoazepan-1-yl)-N-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-(5-keto-3-methyl-azepan-1-yl)-N-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carboxamide Formula: C21H19F3N4O2 MolecularWeight: 416.39637

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CCN(C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=C(C=C(C=C4F)F)F

Isomeric SMILES

CC1CC(=O)CCN(C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=C(C=C(C=C4F)F)F

InChI

InChI=1S/C21H19F3N4O2/c1-11-6-14(29)4-5-28(10-11)21-25-17-3-2-12(7-18(17)26-21)20(30)27-19-15(23)8-13(22)9-16(19)24/h2-3,7-9,11H,4-6,10H2,1H3,(H,25,26)(H,27,30)