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

Systemtic Name: 3-[2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N,2-dimethyl-benzamide Openeye Name: 3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N,2-dimethyl-benzamide CAS Name: 3-[[[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-oxomethyl]amino]-N,2-dimethylbenzamide IUPAC Name: 3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N,2-dimethylbenzamide Traditional Name: 3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]-N,2-dimethyl-benzamide Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NCCC2=C3C(=CC(=C2)F)COCO3)C(=O)NC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NCCC2=C3C(=CC(=C2)F)COCO3)C(=O)NC

InChI

InChI=1S/C20H22FN3O4/c1-12-16(19(25)22-2)4-3-5-17(12)24-20(26)23-7-6-13-8-15(21)9-14-10-27-11-28-18(13)14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,22,25)(H2,23,24,26)