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

Systemtic Name: 8-methyl-N-[[3-oxidanyl-1-(4-oxidanylidenepentyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[3-hydroxy-1-(4-oxopentyl)-4-piperidyl]methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[3-hydroxy-1-(4-oxopentyl)-4-piperidinyl]methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[3-hydroxy-1-(4-oxopentyl)piperidin-4-yl]methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[3-hydroxy-1-(4-ketopentyl)-4-piperidyl]methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C(=O)NCC3CCN(CC3O)CCCC(=O)C)OCCCO2

Isomeric SMILES

CC1=CC2=C(C(=C1)C(=O)NCC3CCN(CC3O)CCCC(=O)C)OCCCO2

InChI

InChI=1S/C22H32N2O5/c1-15-11-18(21-20(12-15)28-9-4-10-29-21)22(27)23-13-17-6-8-24(14-19(17)26)7-3-5-16(2)25/h11-12,17,19,26H,3-10,13-14H2,1-2H3,(H,23,27)