(phenylmethyl) 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: benzyl 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid benzyl ester Formula: C20H16BrN3O2 MolecularWeight: 410.26394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

InChI

InChI=1S/C20H16BrN3O2/c21-17-9-4-8-16(12-17)19-18(13-24(23-19)11-5-10-22)20(25)26-14-15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,11,14H2