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

Systemtic Name: 6-chloranyl-N-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C17H13ClF3NO4 MolecularWeight: 387.73763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClF3NO4/c18-13-8-10(9-14-15(13)25-7-1-6-24-14)16(23)22-11-2-4-12(5-3-11)26-17(19,20)21/h2-5,8-9H,1,6-7H2,(H,22,23)