2-[4-[2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylamino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylamino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(3-keto-4H-1,4-benzoxazin-6-yl)ethylamino]butyl]isoindoline-1,3-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)CCNCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)CCNCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O4/c26-20-14-29-19-8-7-15(13-18(19)24-20)9-11-23-10-3-4-12-25-21(27)16-5-1-2-6-17(16)22(25)28/h1-2,5-8,13,23H,3-4,9-12,14H2,(H,24,26)