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

Systemtic Name: methyl 3-[(4-bromophenyl)methyl]-5-methyl-1-propyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4-bromophenyl)methyl]-5-methyl-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-methyl-1-propyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl]-5-methyl-1-propylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-5-methyl-1-propyl-pyrazole-4-carboxylic acid methyl ester Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C

InChI

InChI=1S/C16H19BrN2O2/c1-4-9-19-11(2)15(16(20)21-3)14(18-19)10-12-5-7-13(17)8-6-12/h5-8H,4,9-10H2,1-3H3