(2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-fluorophenyl)propanamide

Systemtic Name: (2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-fluorophenyl)propanamide Openeye Name: (2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-oxo-pyridazin-1-yl]-N-(3-fluorophenyl)propanamide CAS Name: (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxo-1-pyridazinyl]-N-(3-fluorophenyl)propanamide IUPAC Name: (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-fluorophenyl)propanamide Traditional Name: (2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-keto-pyridazin-1-yl]-N-(3-fluorophenyl)propionamide Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NC3=CC(=CC=C3)F)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)[C@H](C)C(=O)NC3=CC(=CC=C3)F)NC(=O)C

InChI

InChI=1S/C22H21FN4O3/c1-13-7-8-16(11-20(13)24-15(3)28)19-9-10-21(29)27(26-19)14(2)22(30)25-18-6-4-5-17(23)12-18/h4-12,14H,1-3H3,(H,24,28)(H,25,30)/t14-/m1/s1