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

Systemtic Name: 2-[3-[4-(4-methyl-3-oxidanylidene-1,4-benzoxazin-7-yl)butyl-propyl-amino]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butyl-propyl-amino]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butyl-propylamino]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)butyl-propylamino]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(3-keto-4-methyl-1,4-benzoxazin-7-yl)butyl-propyl-amino]propyl]isoindoline-1,3-quinone Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)CO2)C)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)CO2)C)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H33N3O4/c1-3-14-29(16-8-17-30-26(32)21-10-4-5-11-22(21)27(30)33)15-7-6-9-20-12-13-23-24(18-20)34-19-25(31)28(23)2/h4-5,10-13,18H,3,6-9,14-17,19H2,1-2H3