1-(2-bromanyl-3-chloranyl-5-methoxy-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: 1-(2-bromanyl-3-chloranyl-5-methoxy-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-(2-bromo-3-chloro-5-methoxy-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: 1-(2-bromo-3-chloro-5-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: 1-(2-bromo-3-chloro-5-methoxyphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: 1-(2-bromo-3-chloro-5-methoxy-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C17H16BrClF3N3O MolecularWeight: 450.68065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Br)Cl

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Br)Cl

InChI

InChI=1S/C17H16BrClF3N3O/c1-26-12-8-13(19)16(18)14(9-12)24-4-6-25(7-5-24)15-3-2-11(10-23-15)17(20,21)22/h2-3,8-10H,4-7H2,1H3