N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]methyl]-4-fluorobenzamide IUPAC Name: N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]methyl]-4-fluoro-benzamide Formula: C24H27FN4O2 MolecularWeight: 422.495183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CNC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CNC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O2/c25-19-11-9-18(10-12-19)24(31)26-17-22-27-20-7-3-4-8-21(20)29(22)16-13-23(30)28-14-5-1-2-6-15-28/h3-4,7-12H,1-2,5-6,13-17H2,(H,26,31)