4-bromanyl-N-(4-butan-2-ylphenyl)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-(4-butan-2-ylphenyl)-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-(4-sec-butylphenyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-(4-butan-2-ylphenyl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-1-methyl-N-(4-sec-butylphenyl)pyrazole-3-carboxamide Formula: C15H18BrN3O MolecularWeight: 336.22692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C

InChI

InChI=1S/C15H18BrN3O/c1-4-10(2)11-5-7-12(8-6-11)17-15(20)14-13(16)9-19(3)18-14/h5-10H,4H2,1-3H3,(H,17,20)