ethyl 3-[(4-bromophenyl)methyl]-1-butyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-1-butyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl]-1-butylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-1-butyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H21BrN2O2 MolecularWeight: 365.26484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCCCN1C=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C17H21BrN2O2/c1-3-5-10-20-12-15(17(21)22-4-2)16(19-20)11-13-6-8-14(18)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3