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

Systemtic Name: 2-(2-azanyl-2-phenyl-ethyl)-4-(2-chloranyl-3-methoxy-phenyl)-6-[(2-fluoranyl-6-methylsulfonyl-phenyl)methyl]-5-methyl-pyridazin-3-one Openeye Name: 2-(2-amino-2-phenyl-ethyl)-4-(2-chloro-3-methoxy-phenyl)-6-[(2-fluoro-6-methylsulfonyl-phenyl)methyl]-5-methyl-pyridazin-3-one CAS Name: 2-(2-amino-2-phenylethyl)-4-(2-chloro-3-methoxyphenyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-5-methyl-3-pyridazinone IUPAC Name: 2-(2-amino-2-phenylethyl)-4-(2-chloro-3-methoxyphenyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-5-methylpyridazin-3-one Traditional Name: 2-(2-amino-2-phenyl-ethyl)-4-(2-chloro-3-methoxy-phenyl)-6-(2-fluoro-6-mesyl-benzyl)-5-methyl-pyridazin-3-one Formula: C28H27ClFN3O4S MolecularWeight: 556.048083

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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=C(C(=CC=C4)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClFN3O4S/c1-17-23(15-20-21(30)12-8-14-25(20)38(3,35)36)32-33(16-22(31)18-9-5-4-6-10-18)28(34)26(17)19-11-7-13-24(37-2)27(19)29/h4-14,22H,15-16,31H2,1-3H3