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

Systemtic Name: 5-[3-(4-indol-1-ylpiperidin-1-yl)-4-oxidanyl-pyrrolidin-1-yl]-5-oxidanylidene-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[3-hydroxy-4-(4-indol-1-yl-1-piperidyl)pyrrolidin-1-yl]-2-isopropyl-5-oxo-2-(2-thienyl)pentanenitrile CAS Name: 5-[3-hydroxy-4-[4-(1-indolyl)-1-piperidinyl]-1-pyrrolidinyl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[3-hydroxy-4-(4-indol-1-ylpiperidin-1-yl)pyrrolidin-1-yl]-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[3-hydroxy-4-(4-indol-1-ylpiperidino)pyrrolidino]-2-isopropyl-5-keto-2-(2-thienyl)valeronitrile Formula: C29H36N4O2S MolecularWeight: 504.68674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1CC(C(C1)O)N2CCC(CC2)N3C=CC4=CC=CC=C43)(C#N)C5=CC=CS5

Isomeric SMILES

CC(C)C(CCC(=O)N1CC(C(C1)O)N2CCC(CC2)N3C=CC4=CC=CC=C43)(C#N)C5=CC=CS5

InChI

InChI=1S/C29H36N4O2S/c1-21(2)29(20-30,27-8-5-17-36-27)13-9-28(35)32-18-25(26(34)19-32)31-14-11-23(12-15-31)33-16-10-22-6-3-4-7-24(22)33/h3-8,10,16-17,21,23,25-26,34H,9,11-15,18-19H2,1-2H3