7-oxidanylidene-2-[(4-pyridin-4-yloxyphenyl)amino]-5-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-oxidanylidene-2-[(4-pyridin-4-yloxyphenyl)amino]-5-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-oxo-2-[4-(4-pyridyloxy)anilino]-5-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-oxo-2-(4-pyridin-4-yloxyanilino)-5-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 7-oxo-2-(4-pyridin-4-yloxyanilino)-5-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-2-[4-(4-pyridyloxy)anilino]-5-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C19H11F3N6O2 MolecularWeight: 412.32485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C(=NN2C1=O)NC3=CC=C(C=C3)OC4=CC=NC=C4)C#N)C(F)(F)F

Isomeric SMILES

C1C(=NC2=C(C(=NN2C1=O)NC3=CC=C(C=C3)OC4=CC=NC=C4)C#N)C(F)(F)F

InChI

InChI=1S/C19H11F3N6O2/c20-19(21,22)15-9-16(29)28-18(26-15)14(10-23)17(27-28)25-11-1-3-12(4-2-11)30-13-5-7-24-8-6-13/h1-8H,9H2,(H,25,27)