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

Systemtic Name: 5-oxidanylidene-5-[3-oxidanyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]-2-isopropyl-5-oxo-2-(2-thienyl)pentanenitrile CAS Name: 5-[3-hydroxy-4-(4-phenyl-1-piperazinyl)-1-pyrrolidinyl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[3-hydroxy-4-(4-phenylpiperazino)pyrrolidino]-2-isopropyl-5-keto-2-(2-thienyl)valeronitrile Formula: C26H34N4O2S MolecularWeight: 466.63876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1CC(C(C1)O)N2CCN(CC2)C3=CC=CC=C3)(C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C(CCC(=O)N1CC(C(C1)O)N2CCN(CC2)C3=CC=CC=C3)(C#N)C4=CC=CS4

InChI

InChI=1S/C26H34N4O2S/c1-20(2)26(19-27,24-9-6-16-33-24)11-10-25(32)30-17-22(23(31)18-30)29-14-12-28(13-15-29)21-7-4-3-5-8-21/h3-9,16,20,22-23,31H,10-15,17-18H2,1-2H3