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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)C#N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)C#N.Cl.Cl.Cl

InChI

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