2-[1-(azepan-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CC(C(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=NO1)C)CC(C(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O4/c1-14-18(15(2)29-23-14)13-19(22(28)24-11-7-3-4-8-12-24)25-20(26)16-9-5-6-10-17(16)21(25)27/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3