2-[4-[2-(3-bromanylphenoxy)pyridin-3-yl]carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-bromanylphenoxy)pyridin-3-yl]carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-(3-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[2-(3-bromophenoxy)-3-pyridinyl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[2-(3-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[2-(3-bromophenoxy)nicotinoyl]piperazino]-6-fluoro-benzonitrile Formula: C23H18BrFN4O2 MolecularWeight: 481.317023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=C(N=CC=C3)OC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=C(N=CC=C3)OC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H18BrFN4O2/c24-16-4-1-5-17(14-16)31-22-18(6-3-9-27-22)23(30)29-12-10-28(11-13-29)21-8-2-7-20(25)19(21)15-26/h1-9,14H,10-13H2