methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]propanoate CAS Name: 3-(4-fluorophenyl)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]propionic acid methyl ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O4/c1-24-20(27)15-6-4-3-5-14(15)18(23-24)19(26)22-16(11-17(25)28-2)12-7-9-13(21)10-8-12/h3-10,16H,11H2,1-2H3,(H,22,26)