N-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]-4-cyano-2-fluoro-benzamide Formula: C27H21FN4O3 MolecularWeight: 468.479043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H21FN4O3/c28-23-15-18(17-29)5-10-22(23)26(33)30-20-6-8-21(9-7-20)31-11-13-32(14-12-31)27(34)25-16-19-3-1-2-4-24(19)35-25/h1-10,15-16H,11-14H2,(H,30,33)