3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCCCC#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCCCC#N

InChI

InChI=1S/C17H18ClN3O2/c1-12-16(17(22)23-10-6-5-9-19)13(2)21(20-12)11-14-7-3-4-8-15(14)18/h3-4,7-8H,5-6,10-11H2,1-2H3