2-[[4-[(2-bromanyl-5-fluoranyl-phenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[[4-[(2-bromanyl-5-fluoranyl-phenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-[(2-bromo-5-fluoro-phenyl)methyl]-1-piperidyl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-[(2-bromo-5-fluorophenyl)methyl]-1-piperidinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(2-bromo-5-fluoro-benzyl)piperidino]methyl]-4H-1,4-benzoxazin-3-one Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=C(C=CC(=C2)F)Br)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1CC2=C(C=CC(=C2)F)Br)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22BrFN2O2/c22-17-6-5-16(23)12-15(17)11-14-7-9-25(10-8-14)13-20-21(26)24-18-3-1-2-4-19(18)27-20/h1-6,12,14,20H,7-11,13H2,(H,24,26)