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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2/c1-19-16-24(23-14-8-9-15-25(23)28-19)27(31)32-18-21-17-30(22-12-6-3-7-13-22)29-26(21)20-10-4-2-5-11-20/h2-17H,18H2,1H3