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

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

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

Isomeric SMILES

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

InChI

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