4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]-N-(2-methylpropyl)benzamide

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]-N-(2-methylpropyl)benzamide Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]-N-isobutyl-benzamide CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-4-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O4/c1-17(2)14-28-26(31)19-8-10-20(11-9-19)29-25-21-5-3-4-6-22(21)27(32)30(25)15-18-7-12-23-24(13-18)34-16-33-23/h3-13,17,25,29H,14-16H2,1-2H3,(H,28,31)