N-[2-[4-[1-(4-cyano-2-methyl-phenyl)hexyl]piperazin-1-yl]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[1-(4-cyano-2-methyl-phenyl)hexyl]piperazin-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-[1-(4-cyano-2-methyl-phenyl)hexyl]piperazin-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[1-(4-cyano-2-methylphenyl)hexyl]-1-piperazinyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-[1-(4-cyano-2-methylphenyl)hexyl]piperazin-1-yl]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[4-[1-(4-cyano-2-methyl-phenyl)hexyl]piperazino]ethyl]-4-fluoro-benzamide Formula: C27H35FN4O MolecularWeight: 450.591403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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