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

Systemtic Name: methyl 3-[(4-bromophenyl)methyl]-5-ethyl-1-propyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4-bromophenyl)methyl]-5-ethyl-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-ethyl-1-propyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl]-5-ethyl-1-propylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-5-ethyl-1-propyl-pyrazole-4-carboxylic acid methyl ester Formula: C17H21BrN2O2 MolecularWeight: 365.26484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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