2-[4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]piperazin-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-N-butylacetamide IUPAC Name: 2-[4-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-butylacetamide Traditional Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]piperazino]-N-butyl-acetamide Formula: C21H28BrN5O2 MolecularWeight: 462.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H28BrN5O2/c1-3-4-9-23-20(28)15-25-10-12-26(13-11-25)21(29)19-14-24-27(16(19)2)18-7-5-17(22)6-8-18/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,28)