(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H20N4O3/c1-14-19(15(2)26(23-14)16-9-5-4-6-10-16)13-29-22(28)20-17-11-7-8-12-18(17)21(27)25(3)24-20/h4-12H,13H2,1-3H3