6-chloranyl-N-(3-ethyl-2-morpholin-4-yl-pentyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(3-ethyl-2-morpholin-4-yl-pentyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(3-ethyl-2-morpholino-pentyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-ethyl-2-(4-morpholinyl)pentyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(3-ethyl-2-morpholino-pentyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H31ClN2O4 MolecularWeight: 410.93484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2)N3CCOCC3

Isomeric SMILES

CCC(CC)C(CNC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2)N3CCOCC3

InChI

InChI=1S/C21H31ClN2O4/c1-3-15(4-2)18(24-6-10-26-11-7-24)14-23-21(25)16-12-17(22)20-19(13-16)27-8-5-9-28-20/h12-13,15,18H,3-11,14H2,1-2H3,(H,23,25)