(2S)-N-[(1S)-1-cyano-2-[4-(2-methyl-4-oxidanyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(2-methyl-4-oxidanyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-hydroxy-2-methyl-phenyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-hydroxy-2-methylphenyl)phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-hydroxy-2-methylphenyl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-(4-hydroxy-2-methyl-phenyl)phenyl]ethyl]pipecolinamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)C2=CC=C(C=C2)CC(C#N)NC(=O)C3CCCCN3

Isomeric SMILES

CC1=C(C=CC(=C1)O)C2=CC=C(C=C2)C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3

InChI

InChI=1S/C22H25N3O2/c1-15-12-19(26)9-10-20(15)17-7-5-16(6-8-17)13-18(14-23)25-22(27)21-4-2-3-11-24-21/h5-10,12,18,21,24,26H,2-4,11,13H2,1H3,(H,25,27)/t18-,21-/m0/s1