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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)NCC3CCN(CC3O)CCCOC)OCCCO2

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)NC[C@@H]3CCN(C[C@H]3O)CCCOC)OCCCO2

InChI

InChI=1S/C21H32N2O5/c1-15-5-6-17(20-19(15)27-11-4-12-28-20)21(25)22-13-16-7-9-23(14-18(16)24)8-3-10-26-2/h5-6,16,18,24H,3-4,7-14H2,1-2H3,(H,22,25)/t16-,18+/m0/s1