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

Systemtic Name: methyl 3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(4-fluorophenyl)propanoate CAS Name: 3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-3-(4-fluorophenyl)propanoate Traditional Name: 3-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-3-(4-fluorophenyl)propionic acid methyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4/c1-3-25-21(28)16-7-5-4-6-15(16)19(24-25)20(27)23-17(12-18(26)29-2)13-8-10-14(22)11-9-13/h4-11,17H,3,12H2,1-2H3,(H,23,27)