5-methyl-4-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-methyl-4-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-methyl-2-phenyl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2C(=CC(=O)N3C2=CC(=N3)C4=CC=CC=C4)C)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CN2C(=CC(=O)N3C2=CC(=N3)C4=CC=CC=C4)C)O)C

InChI

InChI=1S/C25H27N3O3/c1-16-10-11-17(2)25(19(16)4)31-15-21(29)14-27-18(3)12-24(30)28-23(27)13-22(26-28)20-8-6-5-7-9-20/h5-13,21,29H,14-15H2,1-4H3