(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H16N4O3/c1-23-19(25)17-6-3-2-5-16(17)18(22-23)20(26)27-13-14-7-9-15(10-8-14)24-12-4-11-21-24/h2-12H,13H2,1H3