2-(4-bromanylphenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Openeye Name: 2-(4-bromophenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one CAS Name: 2-(4-bromophenoxy)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-1-propanone IUPAC Name: 2-(4-bromophenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Traditional Name: 2-(4-bromophenoxy)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1C2=CC=CN2C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N1CCCCCC1C2=CC=CN2C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN2O2/c1-15(25-17-11-9-16(21)10-12-17)20(24)23-14-5-3-4-7-19(23)18-8-6-13-22(18)2/h6,8-13,15,19H,3-5,7,14H2,1-2H3