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

Systemtic Name: N-[[(3S,4S)-1-butyl-3-oxidanyl-piperidin-4-yl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[(3S,4S)-1-butyl-3-hydroxy-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[(3S,4S)-1-butyl-3-hydroxy-4-piperidinyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[(3S,4S)-1-butyl-3-hydroxypiperidin-4-yl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[(3S,4S)-1-butyl-3-hydroxy-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN1CC[C@H]([C@@H](C1)O)CNC(=O)C2=C3C(=C(C=C2)C)OCCCO3

InChI

InChI=1S/C21H32N2O4/c1-3-4-9-23-10-8-16(18(24)14-23)13-22-21(25)17-7-6-15(2)19-20(17)27-12-5-11-26-19/h6-7,16,18,24H,3-5,8-14H2,1-2H3,(H,22,25)/t16-,18+/m0/s1