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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H18N4O3/c1-2-24-20(26)18-7-4-3-6-17(18)19(23-24)21(27)28-14-15-8-10-16(11-9-15)25-13-5-12-22-25/h3-13H,2,14H2,1H3