2-[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-oxo-phthalazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2-phthalazinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-oxophthalazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[1-keto-4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C29H27F3N4O5S MolecularWeight: 600.60869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H27F3N4O5S/c1-19-9-10-20(17-25(19)42(39,40)35-15-5-2-6-16-35)27-23-7-3-4-8-24(23)28(38)36(34-27)18-26(37)33-21-11-13-22(14-12-21)41-29(30,31)32/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,33,37)