1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxyphenyl)methyl]piperazine IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxyphenyl)methyl]piperazine Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-ethoxy-4-methoxy-phenyl)methyl]piperazine Formula: C21H24ClF3N2O2 MolecularWeight: 428.87567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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