2-[3-[2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylamino]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylamino]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-(3-keto-4H-1,4-benzoxazin-6-yl)ethylamino]propyl]isoindoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)CCNCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)CCNCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O4/c25-19-13-28-18-7-6-14(12-17(18)23-19)8-10-22-9-3-11-24-20(26)15-4-1-2-5-16(15)21(24)27/h1-2,4-7,12,22H,3,8-11,13H2,(H,23,25)