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

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-propyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl]-1-butyl-5-propylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-1-butyl-5-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H27BrN2O2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O2/c1-4-7-13-23-18(8-5-2)19(20(24)25-6-3)17(22-23)14-15-9-11-16(21)12-10-15/h9-12H,4-8,13-14H2,1-3H3