4-[(7R)-3-cyano-5-methyl-6-(phenylcarbamoyl)-1,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate

Systemtic Name: 4-[(7R)-3-cyano-5-methyl-6-(phenylcarbamoyl)-1,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate Openeye Name: 4-[(7R)-3-cyano-5-methyl-6-(phenylcarbamoyl)-1,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate CAS Name: 4-[(7R)-6-[anilino(oxo)methyl]-3-cyano-5-methyl-1,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate IUPAC Name: 4-[(7R)-3-cyano-5-methyl-6-(phenylcarbamoyl)-1,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate Traditional Name: 4-[(7R)-3-cyano-5-methyl-6-(phenylcarbamoyl)-1,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate Formula: C22H16N5O3- MolecularWeight: 398.39414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)C(=CN2)C#N)C3=CC=C(C=C3)C(=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C([C@H](N2C(=N1)C(=CN2)C#N)C3=CC=C(C=C3)C(=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H17N5O3/c1-13-18(21(28)26-17-5-3-2-4-6-17)19(14-7-9-15(10-8-14)22(29)30)27-20(25-13)16(11-23)12-24-27/h2-10,12,19,24H,1H3,(H,26,28)(H,29,30)/p-1/t19-/m1/s1