1-[(5-bromanyl-2-ethoxy-phenyl)-[2-chloranyl-5-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-[2-chloranyl-5-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazine Formula: C20H21BrClF3N2O MolecularWeight: 477.74575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCNCC3

InChI

InChI=1S/C20H21BrClF3N2O/c1-2-28-18-6-4-14(21)12-16(18)19(27-9-7-26-8-10-27)15-11-13(20(23,24)25)3-5-17(15)22/h3-6,11-12,19,26H,2,7-10H2,1H3