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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)C#N

Isomeric SMILES

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)C#N

InChI

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