ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-phenyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-1-butyl-5-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O2/c1-3-5-15-26-22(18-9-7-6-8-10-18)21(23(27)28-4-2)20(25-26)16-17-11-13-19(24)14-12-17/h6-14H,3-5,15-16H2,1-2H3