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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-2-3-14-28-26(31)19-9-11-20(12-10-19)29-25-21-6-4-5-7-22(21)27(32)30(25)16-18-8-13-23-24(15-18)34-17-33-23/h4-13,15,25,29H,2-3,14,16-17H2,1H3,(H,28,31)