N-(cyanomethyl)-2-[3-(2-fluoranyl-4-piperazin-1-yl-phenyl)phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-(2-fluoranyl-4-piperazin-1-yl-phenyl)phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-(2-fluoro-4-piperazin-1-yl-phenyl)phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-[2-fluoro-4-(1-piperazinyl)phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-(2-fluoro-4-piperazin-1-ylphenyl)phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-(2-fluoro-4-piperazino-phenyl)phenyl]-4-methyl-valeramide Formula: C24H29FN4O MolecularWeight: 408.511663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=C(C=C(C=C2)N3CCNCC3)F)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=C(C=C(C=C2)N3CCNCC3)F)C(=O)NCC#N

InChI

InChI=1S/C24H29FN4O/c1-17(2)14-22(24(30)28-9-8-26)19-5-3-4-18(15-19)21-7-6-20(16-23(21)25)29-12-10-27-11-13-29/h3-7,15-17,22,27H,9-14H2,1-2H3,(H,28,30)