ethyl 2-(phenoxymethyl)-3,7-diphenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(phenoxymethyl)-3,7-diphenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(phenoxymethyl)-3,7-diphenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(phenoxymethyl)-3,7-diphenyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenoxymethyl)-3,7-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(phenoxymethyl)-3,7-diphenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4)N=C1)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4)N=C1)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3/c1-2-33-28(32)23-18-29-27-25(20-12-6-3-7-13-20)24(19-34-22-16-10-5-11-17-22)30-31(27)26(23)21-14-8-4-9-15-21/h3-18H,2,19H2,1H3