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

Systemtic Name: 9-methyl-N-[[(3S,4S)-3-oxidanyl-1-(3-oxidanylpropyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[(3S,4S)-3-hydroxy-1-(3-hydroxypropyl)-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[(3S,4S)-3-hydroxy-1-(3-hydroxypropyl)-4-piperidinyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[(3S,4S)-3-hydroxy-1-(3-hydroxypropyl)piperidin-4-yl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[(3S,4S)-3-hydroxy-1-(3-hydroxypropyl)-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-14-4-5-16(19-18(14)26-10-3-11-27-19)20(25)21-12-15-6-8-22(7-2-9-23)13-17(15)24/h4-5,15,17,23-24H,2-3,6-13H2,1H3,(H,21,25)/t15-,17+/m0/s1