(2S)-N-(3-chloranyl-4-cyano-phenyl)-2-(4-phenylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-cyano-phenyl)-2-(4-phenylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-(4-phenylpiperazin-1-yl)propanamide CAS Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-(4-phenyl-1-piperazinyl)propanamide IUPAC Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-(4-phenylpiperazino)propionamide Formula: C20H21ClN4O MolecularWeight: 368.85994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O/c1-15(20(26)23-17-8-7-16(14-22)19(21)13-17)24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13,15H,9-12H2,1H3,(H,23,26)/t15-/m0/s1