3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide

Systemtic Name: 3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide Openeye Name: 3-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-N-(4-bromo-2-fluoro-phenyl)propanamide CAS Name: 3-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-N-(4-bromo-2-fluorophenyl)propanamide IUPAC Name: 3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)propanamide Traditional Name: 3-[3-(1,3-benzoxazol-2-yl)piperidino]-N-(4-bromo-2-fluoro-phenyl)propionamide Formula: C21H21BrFN3O2 MolecularWeight: 446.312743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)NC2=C(C=C(C=C2)Br)F)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC(CN(C1)CCC(=O)NC2=C(C=C(C=C2)Br)F)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21BrFN3O2/c22-15-7-8-17(16(23)12-15)24-20(27)9-11-26-10-3-4-14(13-26)21-25-18-5-1-2-6-19(18)28-21/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,24,27)