4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine

Systemtic Name: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine CAS Name: 4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1-phthalazinamine IUPAC Name: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine Traditional Name: [4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C27H26F3N5O2S MolecularWeight: 541.58785

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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)N5CCN(CC5)C

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)N5CCN(CC5)C

InChI

InChI=1S/C27H26F3N5O2S/c1-18-10-11-19(16-24(18)38(36,37)35-14-12-34(2)13-15-35)25-22-8-3-4-9-23(22)26(33-32-25)31-21-7-5-6-20(17-21)27(28,29)30/h3-11,16-17H,12-15H2,1-2H3,(H,31,33)