2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(5-bromonicotinoyl)piperazino]isonicotinonitrile Formula: C16H14BrN5O MolecularWeight: 372.21926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H14BrN5O/c17-14-8-13(10-19-11-14)16(23)22-5-3-21(4-6-22)15-7-12(9-18)1-2-20-15/h1-2,7-8,10-11H,3-6H2