5-[3-[methyl-(phenylmethyl)amino]-4-oxidanyl-pyrrolidin-1-yl]-5-oxidanylidene-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[3-[methyl-(phenylmethyl)amino]-4-oxidanyl-pyrrolidin-1-yl]-5-oxidanylidene-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[3-[benzyl(methyl)amino]-4-hydroxy-pyrrolidin-1-yl]-2-isopropyl-5-oxo-2-(2-thienyl)pentanenitrile CAS Name: 5-[3-hydroxy-4-[methyl-(phenylmethyl)amino]-1-pyrrolidinyl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[3-[benzyl(methyl)amino]-4-hydroxypyrrolidin-1-yl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[3-[benzyl(methyl)amino]-4-hydroxy-pyrrolidino]-2-isopropyl-5-keto-2-(2-thienyl)valeronitrile Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1CC(C(C1)O)N(C)CC2=CC=CC=C2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCC(=O)N1CC(C(C1)O)N(C)CC2=CC=CC=C2)(C#N)C3=CC=CS3

InChI

InChI=1S/C24H31N3O2S/c1-18(2)24(17-25,22-10-7-13-30-22)12-11-23(29)27-15-20(21(28)16-27)26(3)14-19-8-5-4-6-9-19/h4-10,13,18,20-21,28H,11-12,14-16H2,1-3H3