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

Systemtic Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-ethoxy-7-oxidanylidene-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-ethoxy-7-oxo-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-ethoxy-7-oxo-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-6-ethoxy-7-oxopyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 4-[4-(2-cyanophenyl)benzyl]-6-ethoxy-7-keto-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H22N4O4/c1-3-32-22-16-28(23-21(25(31)33-4-2)14-27-29(23)24(22)30)15-17-9-11-18(12-10-17)20-8-6-5-7-19(20)13-26/h5-12,14,16H,3-4,15H2,1-2H3