6-chloranyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H20ClF3N2O4 MolecularWeight: 456.84271

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C21H20ClF3N2O4/c22-15-10-13(11-18-19(15)31-7-1-6-30-18)20(28)26-16-12-14(21(23,24)25)2-3-17(16)27-4-8-29-9-5-27/h2-3,10-12H,1,4-9H2,(H,26,28)