3-cyano-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: 3-cyano-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: 3-cyano-5-(4-fluorophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 3-cyano-5-(4-fluorophenyl)-2-(4-methoxyanilino)-7-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 3-cyano-5-(4-fluorophenyl)-2-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 3-cyano-5-(4-fluorophenyl)-2-(p-anisidino)pyrazolo[1,5-a]pyrimidine-7-carboxylate Formula: C21H13FN5O3- MolecularWeight: 402.358023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN3C(=CC(=NC3=C2C#N)C4=CC=C(C=C4)F)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN3C(=CC(=NC3=C2C#N)C4=CC=C(C=C4)F)C(=O)[O-]

InChI

InChI=1S/C21H14FN5O3/c1-30-15-8-6-14(7-9-15)24-19-16(11-23)20-25-17(12-2-4-13(22)5-3-12)10-18(21(28)29)27(20)26-19/h2-10H,1H3,(H,24,26)(H,28,29)/p-1