[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C5=CC=CC=C5)C

InChI

InChI=1S/C28H24N4O3/c1-18-13-14-20(15-19(18)2)25-21(16-32(30-25)22-9-5-4-6-10-22)17-35-28(34)26-23-11-7-8-12-24(23)27(33)31(3)29-26/h4-16H,17H2,1-3H3