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

Systemtic Name: 2-[4-[4-(4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl)butyl-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butyl-propyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butyl-propylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butyl-propylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(3-keto-4-methyl-1,4-benzoxazin-7-yl)butyl-propyl-amino]butyl]isoindoline-1,3-quinone Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)CO2)C)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)CO2)C)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H35N3O4/c1-3-15-30(17-8-9-18-31-27(33)22-11-4-5-12-23(22)28(31)34)16-7-6-10-21-13-14-24-25(19-21)35-20-26(32)29(24)2/h4-5,11-14,19H,3,6-10,15-18,20H2,1-2H3