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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=CC=C2C#N)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=CC=C2C#N)CC3=C(C=C(C=C3)F)Cl

InChI

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