4-[[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-bromonicotinoyl)piperazino]methyl]benzonitrile Formula: C18H17BrN4O MolecularWeight: 385.25778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O/c19-17-9-16(11-21-12-17)18(24)23-7-5-22(6-8-23)13-15-3-1-14(10-20)2-4-15/h1-4,9,11-12H,5-8,13H2