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

Systemtic Name: ethyl 6-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxidanylidene-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 6-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxo-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-7-oxopyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-butyl-4-[4-(2-cyanophenyl)benzyl]-7-keto-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=CN(C2=C(C=NN2C1=O)C(=O)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H26N4O3/c1-3-5-8-22-18-30(25-24(27(33)34-4-2)16-29-31(25)26(22)32)17-19-11-13-20(14-12-19)23-10-7-6-9-21(23)15-28/h6-7,9-14,16,18H,3-5,8,17H2,1-2H3