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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methyl-propanamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methyl-propanamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-2-methylpropanamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methylpropanamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-2-methyl-propionamide Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-17(2)23(29)25-19-9-10-21(20(24)16-19)26-12-14-27(15-13-26)22(28)11-8-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,25,29)/b11-8+