[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 1-(4-methoxyphenyl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 1-(4-methoxyphenyl)-5-methyl-pyrazole-4-carboxylate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 1-(4-methoxyphenyl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(4-methoxyphenyl)-5-methyl-4-pyrazolecarboxylic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)-5-methyl-pyrazole-4-carboxylic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)OC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)OC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H23N3O4/c1-18-26(17-30-31(18)21-10-12-22(34-2)13-11-21)28(33)35-23-7-5-6-19(15-23)14-20-16-29-27(32)25-9-4-3-8-24(20)25/h3-13,15-17H,14H2,1-2H3,(H,29,32)