1-(4-bromophenyl)-N-hexyl-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-hexyl-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-hexyl-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-hexyl-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-hexyl-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-hexyl-5-methyl-pyrazole-4-carboxamide Formula: C17H22BrN3O MolecularWeight: 364.28008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCCCCNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H22BrN3O/c1-3-4-5-6-11-19-17(22)16-12-20-21(13(16)2)15-9-7-14(18)8-10-15/h7-10,12H,3-6,11H2,1-2H3,(H,19,22)