(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O2/c1-14-12-18(17-10-6-7-11-20(17)24-14)22(27)28-13-19-15(2)25-26(21(19)23)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3