N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoranyl-benzamide

Systemtic Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoranyl-benzamide Openeye Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoro-benzamide CAS Name: N-[6-cyano-7-methyl-6-phenyl-2-(1-piperazinyl)octyl]-4-fluorobenzamide IUPAC Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yloctyl)-4-fluorobenzamide Traditional Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazino-octyl)-4-fluoro-benzamide Formula: C27H35FN4O MolecularWeight: 450.591403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CNC(=O)C1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(CNC(=O)C1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

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