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

Systemtic Name: 4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine CAS Name: 4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1-phthalazinamine IUPAC Name: 4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine Traditional Name: [4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C27H25F3N4O2S MolecularWeight: 526.57321

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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)N5CCCCC5

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)N5CCCCC5

InChI

InChI=1S/C27H25F3N4O2S/c1-18-12-13-19(16-24(18)37(35,36)34-14-5-2-6-15-34)25-22-10-3-4-11-23(22)26(33-32-25)31-21-9-7-8-20(17-21)27(28,29)30/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,31,33)