(2S)-N-[(1S)-1-cyano-2-[4-(6-cyanopyridin-3-yl)phenyl]ethyl]piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-(6-cyanopyridin-3-yl)phenyl]ethyl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-[4-(6-cyano-3-pyridyl)phenyl]ethyl]piperidine-2-carboxamide CAS Name: (2S)-N-[(1S)-1-cyano-2-[4-(6-cyano-3-pyridinyl)phenyl]ethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-[4-(6-cyanopyridin-3-yl)phenyl]ethyl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-[4-(6-cyano-3-pyridyl)phenyl]ethyl]pipecolinamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(=O)NC(CC2=CC=C(C=C2)C3=CN=C(C=C3)C#N)C#N

Isomeric SMILES

C1CCN[C@@H](C1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CN=C(C=C3)C#N)C#N

InChI

InChI=1S/C21H21N5O/c22-12-18-9-8-17(14-25-18)16-6-4-15(5-7-16)11-19(13-23)26-21(27)20-3-1-2-10-24-20/h4-9,14,19-20,24H,1-3,10-11H2,(H,26,27)/t19-,20-/m0/s1