[4-(2-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

Systemtic Name: [4-(2-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-(2-bromo-5-fluoro-benzoyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-[(2-bromo-5-fluorophenyl)-oxomethyl]-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [4-(2-bromo-5-fluoro-benzoyl)piperazino]-(3,5-dimethoxyphenyl)methanone Formula: C20H20BrFN2O4 MolecularWeight: 451.286203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)F)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)F)Br)OC

InChI

InChI=1S/C20H20BrFN2O4/c1-27-15-9-13(10-16(12-15)28-2)19(25)23-5-7-24(8-6-23)20(26)17-11-14(22)3-4-18(17)21/h3-4,9-12H,5-8H2,1-2H3