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

Systemtic Name: N-[(1-butyl-3-oxidanyl-piperidin-4-yl)methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Openeye Name: N-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide CAS Name: N-[(1-butyl-3-hydroxy-4-piperidinyl)methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide IUPAC Name: N-[(1-butyl-3-hydroxypiperidin-4-yl)methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Traditional Name: N-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-3-4-9-23-10-8-15(17(24)14-23)13-22-21(25)16-6-7-18(26-2)20-19(16)27-11-5-12-28-20/h6-7,15,17,24H,3-5,8-14H2,1-2H3,(H,22,25)