N-[2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[4-(4-cyano-5-methyl-4-phenylhexyl)-1-piperazinyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(4-cyano-5-methyl-4-phenylhexyl)piperazin-1-yl]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazino]ethyl]-4-fluoro-benzamide Formula: C27H35FN4O MolecularWeight: 450.591403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H35FN4O/c1-22(2)27(21-29,24-7-4-3-5-8-24)13-6-15-31-17-19-32(20-18-31)16-14-30-26(33)23-9-11-25(28)12-10-23/h3-5,7-12,22H,6,13-20H2,1-2H3,(H,30,33)