(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (5-fluoranyl-3-methyl-1-benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (5-fluoro-3-methyl-benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (5-fluoro-3-methyl-2-benzofuranyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (5-fluoro-3-methyl-1-benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (5-fluoro-3-methyl-benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C21H23FN2O2 MolecularWeight: 354.417923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C21H23FN2O2/c1-14-16-13-15(22)9-10-19(16)26-20(14)21(25)24-12-5-3-4-7-18(24)17-8-6-11-23(17)2/h6,8-11,13,18H,3-5,7,12H2,1-2H3