4-[[4-[4-(4-bromanylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(4-bromanylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(4-bromopyrazol-1-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(4-bromo-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(4-bromopyrazol-1-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-bromopyrazol-1-yl)benzoyl]piperazino]methyl]benzonitrile Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br

InChI

InChI=1S/C22H20BrN5O/c23-20-14-25-28(16-20)21-7-5-19(6-8-21)22(29)27-11-9-26(10-12-27)15-18-3-1-17(13-24)2-4-18/h1-8,14,16H,9-12,15H2