2-[2-tert-butyl-4,5-bis(oxidanyl)phenyl]-2-(1,3-diazinan-2-ylidene)-1-phenyl-ethanone

Systemtic Name: 2-[2-tert-butyl-4,5-bis(oxidanyl)phenyl]-2-(1,3-diazinan-2-ylidene)-1-phenyl-ethanone Openeye Name: 2-(2-tert-butyl-4,5-dihydroxy-phenyl)-2-hexahydropyrimidin-2-ylidene-1-phenyl-ethanone CAS Name: 2-(2-tert-butyl-4,5-dihydroxyphenyl)-2-(1,3-diazinan-2-ylidene)-1-phenylethanone IUPAC Name: 2-(2-tert-butyl-4,5-dihydroxyphenyl)-2-(1,3-diazinan-2-ylidene)-1-phenylethanone Traditional Name: 2-(2-tert-butyl-4,5-dihydroxy-phenyl)-2-hexahydropyrimidin-2-ylidene-1-phenyl-ethanone Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1C(=C2NCCCN2)C(=O)C3=CC=CC=C3)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1C(=C2NCCCN2)C(=O)C3=CC=CC=C3)O)O

InChI

InChI=1S/C22H26N2O3/c1-22(2,3)16-13-18(26)17(25)12-15(16)19(21-23-10-7-11-24-21)20(27)14-8-5-4-6-9-14/h4-6,8-9,12-13,23-26H,7,10-11H2,1-3H3