ethyl 3-[(4-bromophenyl)methyl]-5-propan-2-yl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)methyl]-5-propan-2-yl-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methyl]-5-isopropyl-1-propyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methyl]-5-propan-2-yl-1-propylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-5-isopropyl-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H25BrN2O2 MolecularWeight: 393.318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O2/c1-5-11-22-18(13(3)4)17(19(23)24-6-2)16(21-22)12-14-7-9-15(20)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3