(5-bromanyl-2-oxidanyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C17H15BrF3N3O2 MolecularWeight: 430.21911

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H15BrF3N3O2/c18-12-2-3-14(25)13(9-12)16(26)24-7-5-23(6-8-24)15-4-1-11(10-22-15)17(19,20)21/h1-4,9-10,25H,5-8H2