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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-(5-methylisoxazol-3-yl)isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-(5-methyl-3-isoxazolyl)isoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-(5-methylisoxazol-3-yl)isoindoline-1,3-quinone Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C19H19N3O4/c1-12-10-16(20-26-12)22-18(24)14-7-6-13(11-15(14)19(22)25)17(23)21-8-4-2-3-5-9-21/h6-7,10-11H,2-5,8-9H2,1H3