N-(cyanomethyl)-4-methyl-2-[[2-(4-piperazin-1-ylphenyl)phenyl]methyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[2-(4-piperazin-1-ylphenyl)phenyl]methyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[2-(4-piperazin-1-ylphenyl)phenyl]methyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[2-[4-(1-piperazinyl)phenyl]phenyl]methyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[2-(4-piperazin-1-ylphenyl)phenyl]methyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[2-(4-piperazinophenyl)benzyl]valeramide Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1C2=CC=C(C=C2)N3CCNCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1C2=CC=C(C=C2)N3CCNCC3)C(=O)NCC#N

InChI

InChI=1S/C25H32N4O/c1-19(2)17-22(25(30)28-12-11-26)18-21-5-3-4-6-24(21)20-7-9-23(10-8-20)29-15-13-27-14-16-29/h3-10,19,22,27H,12-18H2,1-2H3,(H,28,30)