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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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