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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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