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

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methoxy-benzamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methoxy-benzamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-2-methoxybenzamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methoxybenzamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-2-methoxy-benzamide Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O3/c1-34-25-10-6-5-9-22(25)27(33)29-23-19-21(28)12-13-24(23)30-15-17-31(18-16-30)26(32)14-11-20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,29,33)/b14-11+