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

Systemtic Name: 2-[4-[2-(4-bromanylphenoxy)pyridin-3-yl]carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[2-(4-bromophenoxy)-3-pyridinyl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[2-(4-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=C(C=C4)Br

Isomeric SMILES

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

InChI

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