2-[3-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl)ethyl-propyl-amino]propyl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)CO4)C

Isomeric SMILES

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)CO4)C

InChI

InChI=1S/C25H29N3O4/c1-3-12-27(13-6-14-28-24(30)19-7-4-5-8-20(19)25(28)31)15-11-18-9-10-21-22(16-18)32-17-23(29)26(21)2/h4-5,7-10,16H,3,6,11-15,17H2,1-2H3