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

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

Click to see the large picture

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=C(C(=CC=C4)OC)F

Isomeric SMILES

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

InChI

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