(3-cyanophenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (3-cyanobenzyl) ester Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=CC(=C2)C#N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=CC(=C2)C#N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H16ClN3O2/c1-14-18(19(21)24(23-14)12-15-6-3-2-4-7-15)20(25)26-13-17-9-5-8-16(10-17)11-22/h2-10H,12-13H2,1H3