2-(4-ethoxyphenyl)-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-5-(3-oxopiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-5-[oxo-(3-oxo-1-piperazinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-5-(3-oxopiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 5-(3-ketopiperazine-1-carbonyl)-2-p-phenetyl-isoindoline-1,3-quinone Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H19N3O5/c1-2-29-15-6-4-14(5-7-15)24-20(27)16-8-3-13(11-17(16)21(24)28)19(26)23-10-9-22-18(25)12-23/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)