2-[4-[4-(4-bromanylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[4-(4-bromanylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[4-(4-bromopyrazol-1-yl)benzoyl]piperazin-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[[4-(4-bromo-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]-N-butylacetamide IUPAC Name: 2-[4-[4-(4-bromopyrazol-1-yl)benzoyl]piperazin-1-yl]-N-butylacetamide Traditional Name: 2-[4-[4-(4-bromopyrazol-1-yl)benzoyl]piperazino]-N-butyl-acetamide Formula: C20H26BrN5O2 MolecularWeight: 448.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

InChI

InChI=1S/C20H26BrN5O2/c1-2-3-8-22-19(27)15-24-9-11-25(12-10-24)20(28)16-4-6-18(7-5-16)26-14-17(21)13-23-26/h4-7,13-14H,2-3,8-12,15H2,1H3,(H,22,27)