(2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-pyridyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-pyridyl)piperazino]propionamide Formula: C18H20BrFN4O MolecularWeight: 407.280003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H20BrFN4O/c1-13(18(25)22-16-6-5-14(19)12-15(16)20)23-8-10-24(11-9-23)17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3,(H,22,25)/t13-/m0/s1