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

Systemtic Name: 2-(2-azanyl-2-phenyl-ethyl)-6-[(2-fluoranyl-6-methylsulfonyl-phenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-pyridazin-3-one Openeye Name: 2-(2-amino-2-phenyl-ethyl)-6-[(2-fluoro-6-methylsulfonyl-phenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-pyridazin-3-one CAS Name: 2-(2-amino-2-phenylethyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-3-pyridazinone IUPAC Name: 2-(2-amino-2-phenylethyl)-6-[(2-fluoro-6-methylsulfonylphenyl)methyl]-4-(3-methoxyphenyl)-5-methylpyridazin-3-one Traditional Name: 2-(2-amino-2-phenyl-ethyl)-6-(2-fluoro-6-mesyl-benzyl)-4-(3-methoxyphenyl)-5-methyl-pyridazin-3-one Formula: C28H28FN3O4S MolecularWeight: 521.603023

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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=C4)OC

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=C4)OC

InChI

InChI=1S/C28H28FN3O4S/c1-18-25(16-22-23(29)13-8-14-26(22)37(3,34)35)31-32(17-24(30)19-9-5-4-6-10-19)28(33)27(18)20-11-7-12-21(15-20)36-2/h4-15,24H,16-17,30H2,1-3H3