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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)phenyl]methyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)phenyl]methyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[3-[4-(1-piperazinyl)phenyl]phenyl]methyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)phenyl]methyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(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(=C1)C2=CC=C(C=C2)N3CCNCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(CC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3)C(=O)NCC#N

InChI

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