2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-morpholinophthalazin-1-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-morpholinophthalazin-1-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide Formula: C21H19F3N4O2S MolecularWeight: 448.46137

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O2S/c22-21(23,24)14-5-7-15(8-6-14)25-18(29)13-31-20-17-4-2-1-3-16(17)19(26-27-20)28-9-11-30-12-10-28/h1-8H,9-13H2,(H,25,29)