(2S)-N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)pyridin-2-yl]amino]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)pyridin-2-yl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)-2-pyridyl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[3-[4-(1-piperazinyl)phenyl]-2-pyridinyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)pyridin-2-yl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazinophenyl)-2-pyridyl]amino]valeramide Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=C(C=CC=N1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=C(C=CC=N1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C23H30N6O/c1-17(2)16-21(23(30)27-11-9-24)28-22-20(4-3-10-26-22)18-5-7-19(8-6-18)29-14-12-25-13-15-29/h3-8,10,17,21,25H,11-16H2,1-2H3,(H,26,28)(H,27,30)/t21-/m0/s1