(2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyrimidin-5-ylphenyl)methoxy]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyrimidin-5-ylphenyl)methoxy]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyrimidin-5-ylphenyl)methoxy]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(5-pyrimidinyl)phenyl]methoxy]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyrimidin-5-ylphenyl)methoxy]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(5-pyrimidyl)phenyl]methoxy]valeramide Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CN=CN=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CN=CN=C3

InChI

InChI=1S/C25H26N4O2/c1-18(2)14-23(25(30)29-13-12-26)31-24(20-6-4-3-5-7-20)21-10-8-19(9-11-21)22-15-27-17-28-16-22/h3-11,15-18,23-24H,13-14H2,1-2H3,(H,29,30)/t23-,24?/m0/s1