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

Systemtic Name: 6-chloranyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(trifluoromethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H15ClF3NO3 MolecularWeight: 385.76481

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)Cl)OC1

InChI

InChI=1S/C18H15ClF3NO3/c19-14-8-12(9-15-16(14)26-6-2-5-25-15)17(24)23-10-11-3-1-4-13(7-11)18(20,21)22/h1,3-4,7-9H,2,5-6,10H2,(H,23,24)