ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-cyclopropyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-cyclopropyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-cyclopropyl-7-oxo-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-cyclopropyl-7-oxo-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-cyclopropyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 4-[4-(2-cyanophenyl)benzyl]-6-cyclopropyl-7-keto-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C=C(C(=O)N2N=C1)C3CC3)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

CCOC(=O)C1=C2N(C=C(C(=O)N2N=C1)C3CC3)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H22N4O3/c1-2-33-26(32)22-14-28-30-24(22)29(16-23(25(30)31)19-11-12-19)15-17-7-9-18(10-8-17)21-6-4-3-5-20(21)13-27/h3-10,14,16,19H,2,11-12,15H2,1H3