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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC(=C(C=C2)C#N)Cl)CC3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC(=C(C=C2)C#N)Cl)CC3=CC=CC=C3F

InChI

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