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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)CO2)C)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)CO2)C)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

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