6-chloranyl-N-[(3-methoxy-4-propoxy-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(3-methoxy-4-propoxy-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(3-methoxy-4-propoxy-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(3-methoxy-4-propoxy-benzyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C21H24ClNO5/c1-3-7-26-17-6-5-14(10-18(17)25-2)13-23-21(24)15-11-16(22)20-19(12-15)27-8-4-9-28-20/h5-6,10-12H,3-4,7-9,13H2,1-2H3,(H,23,24)