2-[4-[4-(4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl)butylamino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl)butylamino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butylamino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(3-keto-4-methyl-1,4-benzoxazin-7-yl)butylamino]butyl]isoindoline-1,3-quinone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=CC(=C2)CCCCNCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C(=O)COC2=C1C=CC(=C2)CCCCNCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O4/c1-27-21-12-11-18(16-22(21)32-17-23(27)29)8-4-5-13-26-14-6-7-15-28-24(30)19-9-2-3-10-20(19)25(28)31/h2-3,9-12,16,26H,4-8,13-15,17H2,1H3