3-[2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N-propan-2-yl-benzamide

Systemtic Name: 3-[2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N-propan-2-yl-benzamide Openeye Name: 3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N-isopropyl-benzamide CAS Name: 3-[[[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-oxomethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N-propan-2-ylbenzamide Traditional Name: 3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N-isopropyl-benzamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)NCCC2=C3C(=CC(=C2)F)COCO3

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)NCCC2=C3C(=CC(=C2)F)COCO3

InChI

InChI=1S/C21H24FN3O4/c1-13(2)24-20(26)15-4-3-5-18(10-15)25-21(27)23-7-6-14-8-17(22)9-16-11-28-12-29-19(14)16/h3-5,8-10,13H,6-7,11-12H2,1-2H3,(H,24,26)(H2,23,25,27)