(1,3-diphenylpyrazol-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C33H25N3O2 MolecularWeight: 495.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H25N3O2/c1-23-16-18-24(19-17-23)31-20-29(28-14-8-9-15-30(28)34-31)33(37)38-22-26-21-36(27-12-6-3-7-13-27)35-32(26)25-10-4-2-5-11-25/h2-21H,22H2,1H3