2-(1,3-benzodioxol-5-ylmethyl)-N-cyclooctyl-3-oxidanylidene-1H-isoindole-1-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-cyclooctyl-3-oxidanylidene-1H-isoindole-1-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-cyclooctyl-3-oxo-isoindoline-1-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-cyclooctyl-3-oxo-1H-isoindole-1-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-cyclooctyl-3-oxo-1H-isoindole-1-carboxamide Traditional Name: N-cyclooctyl-3-keto-2-piperonyl-isoindoline-1-carboxamide Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N2O4/c28-24(26-18-8-4-2-1-3-5-9-18)23-19-10-6-7-11-20(19)25(29)27(23)15-17-12-13-21-22(14-17)31-16-30-21/h6-7,10-14,18,23H,1-5,8-9,15-16H2,(H,26,28)