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

Systemtic Name: 7-chloranyl-N-[[1-(3-cyanopropyl)-3-oxidanyl-piperidin-4-yl]methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Openeye Name: 7-chloro-N-[[1-(3-cyanopropyl)-3-hydroxy-4-piperidyl]methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide CAS Name: 7-chloro-N-[[1-(3-cyanopropyl)-3-hydroxy-4-piperidinyl]methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide IUPAC Name: 7-chloro-N-[[1-(3-cyanopropyl)-3-hydroxypiperidin-4-yl]methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Traditional Name: 7-chloro-N-[[1-(3-cyanopropyl)-3-hydroxy-4-piperidyl]methyl]-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide Formula: C21H28ClN3O5 MolecularWeight: 437.91712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1OCCCO2)C(=O)NCC3CCN(CC3O)CCCC#N)Cl

Isomeric SMILES

COC1=C(C=C(C2=C1OCCCO2)C(=O)NCC3CCN(CC3O)CCCC#N)Cl

InChI

InChI=1S/C21H28ClN3O5/c1-28-19-16(22)11-15(18-20(19)30-10-4-9-29-18)21(27)24-12-14-5-8-25(13-17(14)26)7-3-2-6-23/h11,14,17,26H,2-5,7-10,12-13H2,1H3,(H,24,27)