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

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-2-methoxy-3-methyl-benzamide Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H28ClN3O3/c1-20-7-6-10-23(27(20)35-2)28(34)30-24-19-22(29)12-13-25(24)31-15-17-32(18-16-31)26(33)14-11-21-8-4-3-5-9-21/h3-14,19H,15-18H2,1-2H3,(H,30,34)/b14-11+