4,4-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-methylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-methylphenyl)isoquinoline-1,3-dione Openeye Name: 4,4-bis[(3,5-dimethylisoxazol-4-yl)methyl]-2-(o-tolyl)isoquinoline-1,3-dione CAS Name: 4,4-bis[(3,5-dimethyl-4-isoxazolyl)methyl]-2-(2-methylphenyl)isoquinoline-1,3-dione IUPAC Name: 4,4-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-methylphenyl)isoquinoline-1,3-dione Traditional Name: 4,4-bis[(3,5-dimethylisoxazol-4-yl)methyl]-2-(o-tolyl)isoquinoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(C2=O)(CC4=C(ON=C4C)C)CC5=C(ON=C5C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(C2=O)(CC4=C(ON=C4C)C)CC5=C(ON=C5C)C

InChI

InChI=1S/C28H27N3O4/c1-16-10-6-9-13-25(16)31-26(32)21-11-7-8-12-24(21)28(27(31)33,14-22-17(2)29-34-19(22)4)15-23-18(3)30-35-20(23)5/h6-13H,14-15H2,1-5H3