[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C25H16ClN3O4 MolecularWeight: 457.86524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=NO4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=NO4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H16ClN3O4/c26-17-12-10-16(11-13-17)22-14-19(33-28-22)15-32-25(31)23-20-8-4-5-9-21(20)24(30)29(27-23)18-6-2-1-3-7-18/h1-14H,15H2