N-[(1-butyl-3-oxidanyl-piperidin-4-yl)methyl]-6-fluoranyl-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide

Systemtic Name: N-[(1-butyl-3-oxidanyl-piperidin-4-yl)methyl]-6-fluoranyl-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Openeye Name: N-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-6-fluoro-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide CAS Name: N-[(1-butyl-3-hydroxy-4-piperidinyl)methyl]-6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide IUPAC Name: N-[(1-butyl-3-hydroxypiperidin-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Traditional Name: N-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide Formula: C20H29FN2O4 MolecularWeight: 380.453663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)O)CNC(=O)C2=C3C(=C(C=C2)F)OCCCO3

Isomeric SMILES

CCCCN1CCC(C(C1)O)CNC(=O)C2=C3C(=C(C=C2)F)OCCCO3

InChI

InChI=1S/C20H29FN2O4/c1-2-3-8-23-9-7-14(17(24)13-23)12-22-20(25)15-5-6-16(21)19-18(15)26-10-4-11-27-19/h5-6,14,17,24H,2-4,7-13H2,1H3,(H,22,25)