azepan-1-yl-[3-bromanyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

Systemtic Name: azepan-1-yl-[3-bromanyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Openeye Name: azepan-1-yl-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone CAS Name: 1-azepanyl-[3-bromo-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: azepan-1-yl-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Traditional Name: azepan-1-yl-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Formula: C20H18BrF3N4O MolecularWeight: 467.28233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H18BrF3N4O/c21-16-17(19(29)27-10-6-1-2-7-11-27)26-28-15(20(22,23)24)12-14(25-18(16)28)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2