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

Systemtic Name: azepan-1-yl-[3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Openeye Name: azepan-1-yl-[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone CAS Name: 1-azepanyl-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: azepan-1-yl-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Traditional Name: azepan-1-yl-[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone Formula: C18H16BrF3N4OS MolecularWeight: 473.31005

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C18H16BrF3N4OS/c19-14-15(17(27)25-7-3-1-2-4-8-25)24-26-13(18(20,21)22)10-11(23-16(14)26)12-6-5-9-28-12/h5-6,9-10H,1-4,7-8H2