2-[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(5-bromo-2-fluoro-benzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(5-bromo-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(5-bromo-2-fluoro-benzoyl)piperazino]isonicotinonitrile Formula: C17H14BrFN4O MolecularWeight: 389.221663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrFN4O/c18-13-1-2-15(19)14(10-13)17(24)23-7-5-22(6-8-23)16-9-12(11-20)3-4-21-16/h1-4,9-10H,5-8H2