N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-iodanyl-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-iodanyl-benzamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-iodo-benzamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-2-iodobenzamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-iodobenzamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-2-iodo-benzamide Formula: C26H23ClIN3O2 MolecularWeight: 571.83719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C3I)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C3I)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H23ClIN3O2/c27-20-11-12-24(23(18-20)29-26(33)21-8-4-5-9-22(21)28)30-14-16-31(17-15-30)25(32)13-10-19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H,29,33)/b13-10+