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

Systemtic Name: 1-[2-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 1-[2-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 1-[2-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 1-[2-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 1-[2-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazino]isoquinoline-4-carbonitrile Formula: C22H26N6OS MolecularWeight: 422.54644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)C#N

Isomeric SMILES

C1CN(C(CN1)C2CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)C#N

InChI

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