N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)pyridin-2-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)pyridin-2-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)-2-pyridyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[5-[4-(1-piperazinyl)phenyl]-2-pyridinyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[5-(4-piperazin-1-ylphenyl)pyridin-2-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[5-(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=NC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=NC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3

InChI

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