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

Systemtic Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxidanylidene-6-pentyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-6-pentyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-6-pentyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-6-pentylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-amyl-4-[4-(2-cyanophenyl)benzyl]-7-keto-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H28N4O3/c1-3-5-6-10-23-19-31(26-25(28(34)35-4-2)17-30-32(26)27(23)33)18-20-12-14-21(15-13-20)24-11-8-7-9-22(24)16-29/h7-9,11-15,17,19H,3-6,10,18H2,1-2H3