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

Systemtic Name: 8-azanyl-N-[[(3S,4S)-1-(4-methoxybutyl)-3-oxidanyl-piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: 8-amino-N-[[(3S,4S)-3-hydroxy-1-(4-methoxybutyl)-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: 8-amino-N-[[(3S,4S)-3-hydroxy-1-(4-methoxybutyl)-4-piperidinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: 8-amino-N-[[(3S,4S)-3-hydroxy-1-(4-methoxybutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: 8-amino-N-[[(3S,4S)-3-hydroxy-1-(4-methoxybutyl)-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCN1CCC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)N

Isomeric SMILES

COCCCCN1CC[C@H]([C@@H](C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)N

InChI

InChI=1S/C21H33N3O5/c1-27-8-3-2-6-24-7-5-15(18(25)14-24)13-23-21(26)17-11-16(22)12-19-20(17)29-10-4-9-28-19/h11-12,15,18,25H,2-10,13-14,22H2,1H3,(H,23,26)/t15-,18+/m0/s1