4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]quinoline-2-carbonitrile trihydrochloride

Systemtic Name: 4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]quinoline-2-carbonitrile trihydrochloride Openeye Name: 4-[3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-2-carbonitrile trihydrochloride CAS Name: 4-[5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-2-quinolinecarbonitrile trihydrochloride IUPAC Name: 4-[3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-2-carbonitrile trihydrochloride Traditional Name: 4-[3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinaldonitrile trihydrochloride Formula: C22H29Cl3N6OS MolecularWeight: 531.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C#N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C#N.Cl.Cl.Cl

InChI

InChI=1S/C22H26N6OS.3ClH/c23-13-16-11-18(17-3-1-2-4-19(17)26-16)22(28-7-5-24-6-8-28)12-20(25-14-22)21(29)27-9-10-30-15-27;;;/h1-4,11,20,24-25H,5-10,12,14-15H2;3*1H