N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-4-cyano-2-fluoro-benzamide Formula: C27H22ClFN4O2 MolecularWeight: 488.940583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)Cl)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)Cl)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H22ClFN4O2/c28-23-17-21(31-27(35)22-9-6-20(18-30)16-24(22)29)8-10-25(23)32-12-14-33(15-13-32)26(34)11-7-19-4-2-1-3-5-19/h1-11,16-17H,12-15H2,(H,31,35)/b11-7+