1-[(2-bromanyl-4,5-dimethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine Formula: C20H22BrF3N2O2 MolecularWeight: 459.30009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCNCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCNCC3)Br)OC

InChI

InChI=1S/C20H22BrF3N2O2/c1-27-17-11-15(16(21)12-18(17)28-2)19(26-8-6-25-7-9-26)13-4-3-5-14(10-13)20(22,23)24/h3-5,10-12,19,25H,6-9H2,1-2H3