N-[1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-piperidyl]-4-fluoro-benzamide Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=C(C=C2)F)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H22BrFN2O3/c22-18-12-20-19(27-9-10-28-20)11-15(18)13-25-7-5-17(6-8-25)24-21(26)14-1-3-16(23)4-2-14/h1-4,11-12,17H,5-10,13H2,(H,24,26)