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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzamide Traditional Name: 2-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]-N-piperonyl-benzamide Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O5/c1-17-19-6-2-3-7-20(19)27(33)30(17)13-12-25(31)29-22-9-5-4-8-21(22)26(32)28-15-18-10-11-23-24(14-18)35-16-34-23/h2-11,14H,1,12-13,15-16H2,(H,28,32)(H,29,31)