(4-chloranyl-2-fluoranyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (4-chloranyl-2-fluoranyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (4-chloro-2-fluoro-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (4-chloro-2-fluorophenyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (4-chloro-2-fluorophenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (4-chloro-2-fluoro-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C18H20ClFN2O MolecularWeight: 334.815603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H20ClFN2O/c1-21-10-5-7-16(21)17-6-3-2-4-11-22(17)18(23)14-9-8-13(19)12-15(14)20/h5,7-10,12,17H,2-4,6,11H2,1H3