(2S)-N-[4-methyl-2-(phenylcarbonyl)phenyl]-2-piperazin-1-yl-propanamide

Systemtic Name: (2S)-N-[4-methyl-2-(phenylcarbonyl)phenyl]-2-piperazin-1-yl-propanamide Openeye Name: (2S)-N-(2-benzoyl-4-methyl-phenyl)-2-piperazin-1-yl-propanamide CAS Name: (2S)-N-(2-benzoyl-4-methylphenyl)-2-(1-piperazinyl)propanamide IUPAC Name: (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperazin-1-ylpropanamide Traditional Name: (2S)-N-(2-benzoyl-4-methyl-phenyl)-2-piperazino-propionamide Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCNCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)N2CCNCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-15-8-9-19(18(14-15)20(25)17-6-4-3-5-7-17)23-21(26)16(2)24-12-10-22-11-13-24/h3-9,14,16,22H,10-13H2,1-2H3,(H,23,26)/t16-/m0/s1