ethyl 2-(4-tert-butylphenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(4-tert-butylphenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(4-tert-butylphenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(4-tert-butylphenyl)-7-phenyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-tert-butylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)N=C1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)N=C1)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2/c1-5-30-24(29)20-16-26-22-15-21(17-11-13-19(14-12-17)25(2,3)4)27-28(22)23(20)18-9-7-6-8-10-18/h6-16H,5H2,1-4H3