2-(2-azanyl-2-phenyl-ethyl)-6-[(2-fluoranyl-6-methylsulfonyl-phenyl)methyl]-4-(2-fluorophenyl)-5-methyl-pyridazin-3-one

Systemtic Name: 2-(2-azanyl-2-phenyl-ethyl)-6-[(2-fluoranyl-6-methylsulfonyl-phenyl)methyl]-4-(2-fluorophenyl)-5-methyl-pyridazin-3-one Openeye Name: 2-(2-amino-2-phenyl-ethyl)-6-[(2-fluoro-6-methylsulfonyl-phenyl)methyl]-4-(2-fluorophenyl)-5-methyl-pyridazin-3-one CAS Name: 2-(2-amino-2-phenylethyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-4-(2-fluorophenyl)-5-methyl-3-pyridazinone IUPAC Name: 2-(2-amino-2-phenylethyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-4-(2-fluorophenyl)-5-methylpyridazin-3-one Traditional Name: 2-(2-amino-2-phenyl-ethyl)-6-(2-fluoro-6-mesyl-benzyl)-4-(2-fluorophenyl)-5-methyl-pyridazin-3-one Formula: C27H25F2N3O3S MolecularWeight: 509.567506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1CC2=C(C=CC=C2S(=O)(=O)C)F)CC(C3=CC=CC=C3)N)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=O)N(N=C1CC2=C(C=CC=C2S(=O)(=O)C)F)CC(C3=CC=CC=C3)N)C4=CC=CC=C4F

InChI

InChI=1S/C27H25F2N3O3S/c1-17-24(15-20-22(29)13-8-14-25(20)36(2,34)35)31-32(16-23(30)18-9-4-3-5-10-18)27(33)26(17)19-11-6-7-12-21(19)28/h3-14,23H,15-16,30H2,1-2H3