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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-fluorobenzamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3-fluoro-benzamide Formula: C26H23ClFN3O2 MolecularWeight: 463.931123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClFN3O2/c27-23-18-22(29-26(33)20-7-4-8-21(28)17-20)10-11-24(23)30-13-15-31(16-14-30)25(32)12-9-19-5-2-1-3-6-19/h1-12,17-18H,13-16H2,(H,29,33)/b12-9+