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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]benzamide Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H28ClN3O3/c1-2-35-26-14-9-22(20-25(26)29)28(34)30-23-10-12-24(13-11-23)31-16-18-32(19-17-31)27(33)15-8-21-6-4-3-5-7-21/h3-15,20H,2,16-19H2,1H3,(H,30,34)/b15-8+