ethyl 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(4-benzoxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C2N=CC(=C(N2N=C1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-2-33-28(32)25-18-30-31-26(22-11-7-4-8-12-22)24(17-29-27(25)31)21-13-15-23(16-14-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-10,13-18,22H,2,4,7-8,11-12,19H2,1H3