1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C(F)(F)F

InChI

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