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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3,5-dimethyl-benzamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3,5-dimethylbenzamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3,5-dimethyl-benzamide Formula: C28H28ClN3O2 MolecularWeight: 473.99382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C28H28ClN3O2/c1-20-16-21(2)18-23(17-20)28(34)30-24-9-10-26(25(29)19-24)31-12-14-32(15-13-31)27(33)11-8-22-6-4-3-5-7-22/h3-11,16-19H,12-15H2,1-2H3,(H,30,34)/b11-8+