5-oxidanylidene-3-(3-oxidanylpyrrolidin-1-yl)-2-propan-2-yl-3-(2-pyridin-3-ylethylamino)-2-thiophen-2-yl-pentanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C1=CC=CS1)C(CC=O)(NCCC2=CN=CC=C2)N3CCC(C3)O

Isomeric SMILES

CC(C)C(C#N)(C1=CC=CS1)C(CC=O)(NCCC2=CN=CC=C2)N3CCC(C3)O

InChI

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