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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-fluorobenzoyl)piperazino]propionamide Formula: C21H20ClFN4O2 MolecularWeight: 414.860503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN4O2/c1-14(20(28)25-18-7-4-16(13-24)19(22)12-18)26-8-10-27(11-9-26)21(29)15-2-5-17(23)6-3-15/h2-7,12,14H,8-11H2,1H3,(H,25,28)