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

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]-N-(4-fluorophenyl)benzamide Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]-N-(4-fluorophenyl)benzamide CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(4-fluorophenyl)benzamide IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(4-fluorophenyl)benzamide Traditional Name: N-(4-fluorophenyl)-4-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzamide Formula: C29H22FN3O4 MolecularWeight: 495.501083

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)F

InChI

InChI=1S/C29H22FN3O4/c30-20-8-12-22(13-9-20)32-28(34)19-6-10-21(11-7-19)31-27-23-3-1-2-4-24(23)29(35)33(27)16-18-5-14-25-26(15-18)37-17-36-25/h1-15,27,31H,16-17H2,(H,32,34)