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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[(E)-cinnamyl]piperazin-1-yl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[(E)-cinnamyl]piperazino]propionamide Formula: C23H28BrN3O MolecularWeight: 442.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC=CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)C/C=C/C3=CC=CC=C3)Br

InChI

InChI=1S/C23H28BrN3O/c1-18-10-11-22(21(24)17-18)25-23(28)19(2)27-15-13-26(14-16-27)12-6-9-20-7-4-3-5-8-20/h3-11,17,19H,12-16H2,1-2H3,(H,25,28)/b9-6+