N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 6-(4-benzyloxyphenyl)-N-cyano-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 6-(4-benzoxyphenyl)-N-cyano-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)NC#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)NC#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c28-18-30-27(33)24-16-31-32-25(21-9-5-2-6-10-21)23(15-29-26(24)32)20-11-13-22(14-12-20)34-17-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,30,33)