N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-butyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-homopiperonyl-1,3-diketo-isoindoline-5-carboxamide Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O5/c1-2-3-10-24-21(26)16-6-5-15(12-17(16)22(24)27)20(25)23-9-8-14-4-7-18-19(11-14)29-13-28-18/h4-7,11-12H,2-3,8-10,13H2,1H3,(H,23,25)