N-(cyanomethyl)-4-methyl-2-[3-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-[3-(2-piperazin-1-ylthiazol-4-yl)phenyl]phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[3-[2-(1-piperazinyl)-4-thiazolyl]phenyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-[3-(2-piperazinothiazol-4-yl)phenyl]phenyl]valeramide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)N4CCNCC4)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)N4CCNCC4)C(=O)NCC#N

InChI

InChI=1S/C27H31N5OS/c1-19(2)15-24(26(33)30-10-9-28)22-7-3-5-20(16-22)21-6-4-8-23(17-21)25-18-34-27(31-25)32-13-11-29-12-14-32/h3-8,16-19,24,29H,10-15H2,1-2H3,(H,30,33)