4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine

Systemtic Name: 4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine Openeye Name: 4-(4-methyl-3-morpholinosulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine CAS Name: 4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1-phthalazinamine IUPAC Name: 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine Traditional Name: [4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C26H23F3N4O3S MolecularWeight: 528.54603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4)C(F)(F)F)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4)C(F)(F)F)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H23F3N4O3S/c1-17-9-10-18(15-23(17)37(34,35)33-11-13-36-14-12-33)24-21-7-2-3-8-22(21)25(32-31-24)30-20-6-4-5-19(16-20)26(27,28)29/h2-10,15-16H,11-14H2,1H3,(H,30,32)