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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O2/c1-16-20(21(23)27(25-16)14-17-6-3-2-4-7-17)22(28)29-15-18-8-10-19(11-9-18)26-13-5-12-24-26/h2-13H,14-15H2,1H3