(1,3-diphenylpyrazol-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=NNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=NNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O3/c30-24-21-14-8-7-13-20(21)23(26-27-24)25(31)32-16-18-15-29(19-11-5-2-6-12-19)28-22(18)17-9-3-1-4-10-17/h1-15H,16H2,(H,27,30)