1-[5-bromanyl-6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]piperidine-3-carboxamide

Systemtic Name: 1-[5-bromanyl-6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]piperidine-3-carboxamide Openeye Name: 1-[5-bromo-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]piperidine-3-carboxamide CAS Name: 1-[5-bromo-6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: 1-[5-bromo-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]piperidine-3-carboxamide Traditional Name: 1-[5-bromo-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]nipecotamide Formula: C17H17BrF3N5O2 MolecularWeight: 460.24839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)Br)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)Br)C(=O)N

InChI

InChI=1S/C17H17BrF3N5O2/c18-13-15(25-11-3-5-12(6-4-11)28-17(19,20)21)23-9-24-16(13)26-7-1-2-10(8-26)14(22)27/h3-6,9-10H,1-2,7-8H2,(H2,22,27)(H,23,24,25)