methyl 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: methyl 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: methyl 6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 6-(4-benzoxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2C(=C1)N=CC(=C2C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=NN2C(=C1)N=CC(=C2C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-32-27(31)24-16-25-28-17-23(26(30(25)29-24)21-10-6-3-7-11-21)20-12-14-22(15-13-20)33-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3