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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O2/c1-3-14-26-21(16-17-8-6-5-7-9-17)22(23(27)28-4-2)20(25-26)15-18-10-12-19(24)13-11-18/h5-13H,3-4,14-16H2,1-2H3