5,7-ditert-butyl-2-(4-methoxyphenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5,7-ditert-butyl-2-(4-methoxyphenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5,7-ditert-butyl-2-(4-methoxyphenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5,7-ditert-butyl-2-(4-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5,7-ditert-butyl-2-(4-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5,7-ditert-butyl-2-(4-methoxyphenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC2=C(C(=NN12)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC2=C(C(=NN12)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H31N3O/c1-26(2,3)21-17-22(27(4,5)6)30-25(28-21)23(18-11-9-8-10-12-18)24(29-30)19-13-15-20(31-7)16-14-19/h8-17H,1-7H3