8-fluoranyl-N-[[(3S,4S)-3-oxidanylpiperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: 8-fluoranyl-N-[[(3S,4S)-3-oxidanylpiperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: 8-fluoro-N-[[(3S,4S)-3-hydroxy-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: 8-fluoro-N-[[(3S,4S)-3-hydroxy-4-piperidinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: 8-fluoro-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: 8-fluoro-N-[[(3S,4S)-3-hydroxy-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C16H21FN2O4 MolecularWeight: 324.347343

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)F)C(=O)NCC3CCNCC3O)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)F)C(=O)NC[C@@H]3CCNC[C@H]3O)OC1

InChI

InChI=1S/C16H21FN2O4/c17-11-6-12(15-14(7-11)22-4-1-5-23-15)16(21)19-8-10-2-3-18-9-13(10)20/h6-7,10,13,18,20H,1-5,8-9H2,(H,19,21)/t10-,13+/m0/s1