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

Systemtic Name: 2-[4-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl)ethyl-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)ethyl-propylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)ethyl-propylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(3-keto-4-methyl-1,4-benzoxazin-7-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-quinone Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)CO4)C

Isomeric SMILES

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)CO4)C

InChI

InChI=1S/C26H31N3O4/c1-3-13-28(16-12-19-10-11-22-23(17-19)33-18-24(30)27(22)2)14-6-7-15-29-25(31)20-8-4-5-9-21(20)26(29)32/h4-5,8-11,17H,3,6-7,12-16,18H2,1-2H3