ethyl 3-[(4-bromophenyl)methyl]-5-(phenylmethyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-5-(phenylmethyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-benzyl-3-[(4-bromophenyl)methyl]-1H-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-(phenylmethyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-3-[(4-bromophenyl)methyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-benzyl-3-(4-bromobenzyl)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1CC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1CC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O2/c1-2-25-20(24)19-17(12-14-6-4-3-5-7-14)22-23-18(19)13-15-8-10-16(21)11-9-15/h3-11H,2,12-13H2,1H3,(H,22,23)