1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C20H21F3N2O2 MolecularWeight: 378.38815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21F3N2O2/c21-20(22,23)16-4-1-3-14(11-16)19(25-9-2-7-24-8-10-25)15-5-6-17-18(12-15)27-13-26-17/h1,3-6,11-12,19,24H,2,7-10,13H2