5-(1-adamantyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(5-methylisoxazol-3-yl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(5-methyl-3-isoxazolyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(5-methylisoxazol-3-yl)isoindoline-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H22N2O3/c1-12-4-19(23-27-12)24-20(25)17-3-2-16(8-18(17)21(24)26)22-9-13-5-14(10-22)7-15(6-13)11-22/h2-4,8,13-15H,5-7,9-11H2,1H3