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

Systemtic Name: 2-(2-azanyl-2-phenyl-ethyl)-4-(2-fluorophenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]pyridazin-3-one Openeye Name: 2-(2-amino-2-phenyl-ethyl)-4-(2-fluorophenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]pyridazin-3-one CAS Name: 2-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]-3-pyridazinone IUPAC Name: 2-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]pyridazin-3-one Traditional Name: 2-(2-amino-2-phenyl-ethyl)-4-(2-fluorophenyl)-6-(2-mesylbenzyl)-5-methyl-pyridazin-3-one Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3O3S/c1-18-24(16-20-12-6-9-15-25(20)35(2,33)34)30-31(17-23(29)19-10-4-3-5-11-19)27(32)26(18)21-13-7-8-14-22(21)28/h3-15,23H,16-17,29H2,1-2H3