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

Systemtic Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxidanylidene-6-propyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-6-propyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-6-propyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-6-propylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 4-[4-(2-cyanophenyl)benzyl]-7-keto-6-propyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H24N4O3/c1-3-7-21-17-29(24-23(26(32)33-4-2)15-28-30(24)25(21)31)16-18-10-12-19(13-11-18)22-9-6-5-8-20(22)14-27/h5-6,8-13,15,17H,3-4,7,16H2,1-2H3