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

Systemtic Name: N-(cyanomethyl)-2-[[4-(3-fluoranyl-4-piperazin-1-yl-phenyl)thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-(3-fluoro-4-piperazin-1-yl-phenyl)-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[3-fluoro-4-(1-piperazinyl)phenyl]-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-(3-fluoro-4-piperazin-1-ylphenyl)thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(3-fluoro-4-piperazino-phenyl)-3-thienyl]amino]-4-methyl-valeramide Formula: C22H28FN5OS MolecularWeight: 429.554023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=C(C=C2)N3CCNCC3)F

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=C(C=C2)N3CCNCC3)F

InChI

InChI=1S/C22H28FN5OS/c1-15(2)11-19(22(29)26-6-5-24)27-20-14-30-13-17(20)16-3-4-21(18(23)12-16)28-9-7-25-8-10-28/h3-4,12-15,19,25,27H,6-11H2,1-2H3,(H,26,29)