2-[4-[(5-bromanyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(5-bromanyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(5-bromobenzofuran-2-carbonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(5-bromo-2-benzofuranyl)-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(5-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(5-bromobenzofuran-2-carbonyl)piperazino]-6-fluoro-benzonitrile Formula: C20H15BrFN3O2 MolecularWeight: 428.254403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H15BrFN3O2/c21-14-4-5-18-13(10-14)11-19(27-18)20(26)25-8-6-24(7-9-25)17-3-1-2-16(22)15(17)12-23/h1-5,10-11H,6-9H2