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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-[1,3-benzodioxol-5-yl-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-[1,3-benzodioxol-5-yl-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: 1-[1,3-benzodioxol-5-yl-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: 1-[1,3-benzodioxol-5-yl-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine Formula: C19H18ClF3N2O2 MolecularWeight: 398.80663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18ClF3N2O2/c20-15-3-1-12(9-14(15)19(21,22)23)18(25-7-5-24-6-8-25)13-2-4-16-17(10-13)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2