1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxyphenyl)methyl]piperazine IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxyphenyl)methyl]piperazine Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine Formula: C21H24ClF3N2O2 MolecularWeight: 428.87567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClF3N2O2/c1-3-29-19-13-15(5-7-18(19)28-2)20(27-10-8-26-9-11-27)14-4-6-17(22)16(12-14)21(23,24)25/h4-7,12-13,20,26H,3,8-11H2,1-2H3