N-[2-azanyl-4,6-bis(chloranyl)phenyl]-2-(3-oxidanylidenepiperazin-1-yl)propanamide

Systemtic Name: N-[2-azanyl-4,6-bis(chloranyl)phenyl]-2-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: N-(2-amino-4,6-dichloro-phenyl)-2-(3-oxopiperazin-1-yl)propanamide CAS Name: N-(2-amino-4,6-dichlorophenyl)-2-(3-oxo-1-piperazinyl)propanamide IUPAC Name: N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide Traditional Name: N-(2-amino-4,6-dichloro-phenyl)-2-(3-ketopiperazino)propionamide Formula: C13H16Cl2N4O2 MolecularWeight: 331.19774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1N)Cl)Cl)N2CCNC(=O)C2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1N)Cl)Cl)N2CCNC(=O)C2

InChI

InChI=1S/C13H16Cl2N4O2/c1-7(19-3-2-17-11(20)6-19)13(21)18-12-9(15)4-8(14)5-10(12)16/h4-5,7H,2-3,6,16H2,1H3,(H,17,20)(H,18,21)