2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(1-cyanocycloheptyl)ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(1-cyanocycloheptyl)ethanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(1-cyanocycloheptyl)acetamide Formula: C21H28ClFN4O MolecularWeight: 406.924623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H28ClFN4O/c22-19-13-18(23)6-5-17(19)14-26-9-11-27(12-10-26)15-20(28)25-21(16-24)7-3-1-2-4-8-21/h5-6,13H,1-4,7-12,14-15H2,(H,25,28)