N-(2-fluorophenyl)-2-(3-methyl-5-oxidanylidene-azepan-1-yl)-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(2-fluorophenyl)-2-(3-methyl-5-oxidanylidene-azepan-1-yl)-3H-benzimidazole-5-carboxamide Openeye Name: N-(2-fluorophenyl)-2-(3-methyl-5-oxo-azepan-1-yl)-3H-benzimidazole-5-carboxamide CAS Name: N-(2-fluorophenyl)-2-(3-methyl-5-oxo-1-azepanyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(2-fluorophenyl)-2-(3-methyl-5-oxoazepan-1-yl)-3H-benzimidazole-5-carboxamide Traditional Name: N-(2-fluorophenyl)-2-(5-keto-3-methyl-azepan-1-yl)-3H-benzimidazole-5-carboxamide Formula: C21H21FN4O2 MolecularWeight: 380.415443

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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=CC=CC=C4F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O2/c1-13-10-15(27)8-9-26(12-13)21-24-18-7-6-14(11-19(18)25-21)20(28)23-17-5-3-2-4-16(17)22/h2-7,11,13H,8-10,12H2,1H3,(H,23,28)(H,24,25)