azepan-1-yl-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Openeye Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone CAS Name: 1-azepanyl-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Traditional Name: azepan-1-yl-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Formula: C22H23F3N4O3 MolecularWeight: 448.43823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C22H23F3N4O3/c1-31-17-8-7-14(11-18(17)32-2)16-12-19(22(23,24)25)29-20(27-16)15(13-26-29)21(30)28-9-5-3-4-6-10-28/h7-8,11-13H,3-6,9-10H2,1-2H3