5-oxidanylidene-5-[3-oxidanyl-4-(2-pyridin-3-ylethylamino)pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-oxidanylidene-5-[3-oxidanyl-4-(2-pyridin-3-ylethylamino)pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[3-hydroxy-4-[2-(3-pyridyl)ethylamino]pyrrolidin-1-yl]-2-isopropyl-5-oxo-2-(2-thienyl)pentanenitrile CAS Name: 5-[3-hydroxy-4-[2-(3-pyridinyl)ethylamino]-1-pyrrolidinyl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[3-hydroxy-4-(2-pyridin-3-ylethylamino)pyrrolidin-1-yl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[3-hydroxy-4-[2-(3-pyridyl)ethylamino]pyrrolidino]-2-isopropyl-5-keto-2-(2-thienyl)valeronitrile Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1CC(C(C1)O)NCCC2=CN=CC=C2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCC(=O)N1CC(C(C1)O)NCCC2=CN=CC=C2)(C#N)C3=CC=CS3

InChI

InChI=1S/C23H30N4O2S/c1-17(2)23(16-24,21-6-4-12-30-21)9-7-22(29)27-14-19(20(28)15-27)26-11-8-18-5-3-10-25-13-18/h3-6,10,12-13,17,19-20,26,28H,7-9,11,14-15H2,1-2H3