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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-[4-(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=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O2/c21-20(22,23)16-5-2-14(3-6-16)19(25-10-1-8-24-9-11-25)15-4-7-17-18(12-15)27-13-26-17/h2-7,12,19,24H,1,8-11,13H2