3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide

Systemtic Name: 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide Openeye Name: 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide CAS Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(3-cyanophenyl)propanamide IUPAC Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide Traditional Name: 3-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(3-cyanophenyl)propionamide Formula: C21H22ClFN4O MolecularWeight: 400.876983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)C#N)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=CC(=C2)C#N)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H22ClFN4O/c22-20-13-18(23)5-4-17(20)15-27-10-8-26(9-11-27)7-6-21(28)25-19-3-1-2-16(12-19)14-24/h1-5,12-13H,6-11,15H2,(H,25,28)