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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[phenyl-[5-(4-piperazin-1-ylphenyl)pyridin-2-yl]methyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[phenyl-[5-(4-piperazin-1-ylphenyl)-2-pyridyl]methyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[phenyl-[5-[4-(1-piperazinyl)phenyl]-2-pyridinyl]methyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[phenyl-[5-(4-piperazin-1-ylphenyl)pyridin-2-yl]methyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[phenyl-[5-(4-piperazinophenyl)-2-pyridyl]methyl]thio]valeramide Formula: C30H35N5OS MolecularWeight: 513.6968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC(C1=CC=CC=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC(C1=CC=CC=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C30H35N5OS/c1-22(2)20-28(30(36)33-15-14-31)37-29(24-6-4-3-5-7-24)27-13-10-25(21-34-27)23-8-11-26(12-9-23)35-18-16-32-17-19-35/h3-13,21-22,28-29,32H,15-20H2,1-2H3,(H,33,36)