(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-phenethylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-phenethylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-phenethylpiperazin-1-yl)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenethyl-1-piperazinyl)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenethylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-phenethylpiperazino)propionamide Formula: C22H28BrN3O MolecularWeight: 430.38122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)CCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)N2CCN(CC2)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C22H28BrN3O/c1-17-8-9-21(20(23)16-17)24-22(27)18(2)26-14-12-25(13-15-26)11-10-19-6-4-3-5-7-19/h3-9,16,18H,10-15H2,1-2H3,(H,24,27)/t18-/m0/s1