(2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-piperazin-1-ylcarbonylphenyl)methoxy]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-piperazin-1-ylcarbonylphenyl)methoxy]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(piperazine-1-carbonyl)phenyl]methoxy]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[4-[oxo(1-piperazinyl)methyl]phenyl]-phenylmethoxy]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(piperazine-1-carbonyl)phenyl]methoxy]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(piperazine-1-carbonyl)phenyl]methoxy]valeramide Formula: C26H32N4O3 MolecularWeight: 448.55728

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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)C(=O)N3CCNCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C26H32N4O3/c1-19(2)18-23(25(31)29-13-12-27)33-24(20-6-4-3-5-7-20)21-8-10-22(11-9-21)26(32)30-16-14-28-15-17-30/h3-11,19,23-24,28H,13-18H2,1-2H3,(H,29,31)/t23-,24?/m0/s1