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

Systemtic Name: 2-[4-[2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl-propylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl-propylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-quinone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C25H29N3O4/c1-2-12-27(15-11-18-9-10-22-21(16-18)26-23(29)17-32-22)13-5-6-14-28-24(30)19-7-3-4-8-20(19)25(28)31/h3-4,7-10,16H,2,5-6,11-15,17H2,1H3,(H,26,29)