N-(cyanomethyl)-4-methyl-1-[4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[4-(4-piperazin-1-ylphenyl)thiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[4-[4-(1-piperazinyl)phenyl]-2-thiazolyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[4-(4-piperazinophenyl)thiazol-2-yl]pyrrolidine-2-carboxamide Formula: C21H26N6OS MolecularWeight: 410.53574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

Isomeric SMILES

CC1CC(N(C1)C2=NC(=CS2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

InChI

InChI=1S/C21H26N6OS/c1-15-12-19(20(28)24-7-6-22)27(13-15)21-25-18(14-29-21)16-2-4-17(5-3-16)26-10-8-23-9-11-26/h2-5,14-15,19,23H,7-13H2,1H3,(H,24,28)