N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1-methylene-3-oxo-isoindolin-2-yl)acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1-methylene-3-oxo-2-isoindolyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-(1-keto-3-methylene-isoindolin-2-yl)acetyl]amino]-N-piperonyl-benzamide Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O5/c1-16-18-6-2-3-7-19(18)26(32)29(16)14-24(30)28-21-9-5-4-8-20(21)25(31)27-13-17-10-11-22-23(12-17)34-15-33-22/h2-12H,1,13-15H2,(H,27,31)(H,28,30)