2-[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazino]isonicotinonitrile Formula: C18H16BrFN4O2 MolecularWeight: 419.247643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H16BrFN4O2/c19-14-1-2-16(15(20)10-14)26-12-18(25)24-7-5-23(6-8-24)17-9-13(11-21)3-4-22-17/h1-4,9-10H,5-8,12H2