[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C26H18FN3O3S MolecularWeight: 471.502823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CSC(=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CSC(=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H18FN3O3S/c27-19-12-10-18(11-13-19)24-28-20(16-34-24)15-33-26(32)23-21-8-4-5-9-22(21)25(31)30(29-23)14-17-6-2-1-3-7-17/h1-13,16H,14-15H2