N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C22H18FN5O3S MolecularWeight: 451.473423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)F

InChI

InChI=1S/C22H18FN5O3S/c1-12(29)24-13-7-8-16(17(23)9-13)19-11-32-22(25-19)26-20(30)10-18-14-5-3-4-6-15(14)21(31)28(2)27-18/h3-9,11H,10H2,1-2H3,(H,24,29)(H,25,26,30)