(4-pyrazol-1-ylphenyl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl)C

InChI

InChI=1S/C18H16ClN3O2/c1-12-10-13(2)21-17(19)16(12)18(23)24-11-14-4-6-15(7-5-14)22-9-3-8-20-22/h3-10H,11H2,1-2H3