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

Systemtic Name: 6-chloranyl-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H21ClFNO4 MolecularWeight: 393.836443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClFNO4/c1-3-23(12-13-5-6-17(25-2)16(22)9-13)20(24)14-10-15(21)19-18(11-14)26-7-4-8-27-19/h5-6,9-11H,3-4,7-8,12H2,1-2H3