2-chloranyl-4-[(2S,3R)-2-methyl-3-oxidanyl-3-[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-3-yl]pyrrolidin-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(2S,3R)-2-methyl-3-oxidanyl-3-[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-3-yl]pyrrolidin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[(2S,3R)-3-hydroxy-2-methyl-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridyl]pyrrolidin-1-yl]benzonitrile CAS Name: 2-chloro-4-[(2S,3R)-3-hydroxy-2-methyl-3-[6-(2-oxo-1-pyrrolidinyl)-3-pyridinyl]-1-pyrrolidinyl]benzonitrile IUPAC Name: 2-chloro-4-[(2S,3R)-3-hydroxy-2-methyl-3-[6-(2-oxopyrrolidin-1-yl)pyridin-3-yl]pyrrolidin-1-yl]benzonitrile Traditional Name: 2-chloro-4-[(2S,3R)-3-hydroxy-3-[6-(2-ketopyrrolidino)-3-pyridyl]-2-methyl-pyrrolidino]benzonitrile Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN1C2=CC(=C(C=C2)C#N)Cl)(C3=CN=C(C=C3)N4CCCC4=O)O

Isomeric SMILES

C[C@H]1[C@@](CCN1C2=CC(=C(C=C2)C#N)Cl)(C3=CN=C(C=C3)N4CCCC4=O)O

InChI

InChI=1S/C21H21ClN4O2/c1-14-21(28,8-10-25(14)17-6-4-15(12-23)18(22)11-17)16-5-7-19(24-13-16)26-9-2-3-20(26)27/h4-7,11,13-14,28H,2-3,8-10H2,1H3/t14-,21-/m0/s1