ethyl (3R)-1-[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: (3R)-1-[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)C2=NC(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C17H18N6O2/c1-2-25-17(24)11-4-3-7-23(10-11)16-14(9-20)12(5-6-18)13(8-19)15(21)22-16/h11H,2-5,7,10H2,1H3,(H2,21,22)/t11-/m1/s1