(2-methylquinolin-8-yl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: (2-methyl-8-quinolyl) 3-(4-isopropylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolecarboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 3-p-cumenyl-1-phenyl-pyrazole-4-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CN(N=C3C4=CC=C(C=C4)C(C)C)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CN(N=C3C4=CC=C(C=C4)C(C)C)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C29H25N3O2/c1-19(2)21-14-16-23(17-15-21)27-25(18-32(31-27)24-9-5-4-6-10-24)29(33)34-26-11-7-8-22-13-12-20(3)30-28(22)26/h4-19H,1-3H3