N-(2-fluorophenyl)-2-[5-oxidanylidene-3-(phenylmethyl)azepan-1-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(2-fluorophenyl)-2-[5-oxidanylidene-3-(phenylmethyl)azepan-1-yl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-(3-benzyl-5-oxo-azepan-1-yl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide CAS Name: N-(2-fluorophenyl)-2-[5-oxo-3-(phenylmethyl)-1-azepanyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-(3-benzyl-5-oxoazepan-1-yl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-(3-benzyl-5-keto-azepan-1-yl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(CC1=O)CC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC5=CC=CC=C5F

Isomeric SMILES

C1CN(CC(CC1=O)CC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC5=CC=CC=C5F

InChI

InChI=1S/C27H25FN4O2/c28-22-8-4-5-9-23(22)29-26(34)20-10-11-24-25(16-20)31-27(30-24)32-13-12-21(33)15-19(17-32)14-18-6-2-1-3-7-18/h1-11,16,19H,12-15,17H2,(H,29,34)(H,30,31)