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

Systemtic Name: 5-oxidanylidene-5-[3-oxidanyl-4-[(phenylmethyl)amino]pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[3-(benzylamino)-4-hydroxy-pyrrolidin-1-yl]-2-isopropyl-5-oxo-2-(2-thienyl)pentanenitrile CAS Name: 5-[3-hydroxy-4-[(phenylmethyl)amino]-1-pyrrolidinyl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[3-(benzylamino)-4-hydroxypyrrolidin-1-yl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[3-(benzylamino)-4-hydroxy-pyrrolidino]-2-isopropyl-5-keto-2-(2-thienyl)valeronitrile Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1CC(C(C1)O)NCC2=CC=CC=C2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCC(=O)N1CC(C(C1)O)NCC2=CC=CC=C2)(C#N)C3=CC=CS3

InChI

InChI=1S/C23H29N3O2S/c1-17(2)23(16-24,21-9-6-12-29-21)11-10-22(28)26-14-19(20(27)15-26)25-13-18-7-4-3-5-8-18/h3-9,12,17,19-20,25,27H,10-11,13-15H2,1-2H3