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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2-butyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[2-(piperonylcarbamoyl)phenyl]isoindoline-5-carboxamide Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H25N3O6/c1-2-3-12-31-27(34)19-10-9-18(14-21(19)28(31)35)25(32)30-22-7-5-4-6-20(22)26(33)29-15-17-8-11-23-24(13-17)37-16-36-23/h4-11,13-14H,2-3,12,15-16H2,1H3,(H,29,33)(H,30,32)