5-[4-[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[(5-tert-butyl-2,3-dihydroxy-phenyl)methyl]piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[(5-tert-butyl-2,3-dihydroxyphenyl)methyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[(5-tert-butyl-2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(5-tert-butyl-2,3-dihydroxy-benzyl)piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)16-10-15(19(28)18(27)11-16)13-25-6-8-26(9-7-25)21-17(12-23)24-20(29-21)14-4-5-14/h10-11,14,27-28H,4-9,13H2,1-3H3