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

Systemtic Name: 3-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide Openeye Name: 3-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide CAS Name: 3-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]-N-(4-fluorophenyl)propanamide IUPAC Name: 3-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide Traditional Name: 3-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]-N-(4-fluorophenyl)propionamide Formula: C27H35FN4O MolecularWeight: 450.591403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C27H35FN4O/c1-3-4-5-6-26(22-7-8-23(20-29)21(2)19-22)32-17-15-31(16-18-32)14-13-27(33)30-25-11-9-24(28)10-12-25/h7-12,19,26H,3-6,13-18H2,1-2H3,(H,30,33)