N-(cyanomethyl)-4-methyl-1-[5-methyl-2-(3-piperazin-1-ylphenyl)-1,3-thiazol-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[5-methyl-2-(3-piperazin-1-ylphenyl)-1,3-thiazol-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[5-methyl-2-(3-piperazin-1-ylphenyl)thiazol-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[5-methyl-2-[3-(1-piperazinyl)phenyl]-4-thiazolyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[5-methyl-2-(3-piperazin-1-ylphenyl)-1,3-thiazol-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[5-methyl-2-(3-piperazinophenyl)thiazol-4-yl]pyrrolidine-2-carboxamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=C(SC(=N2)C3=CC(=CC=C3)N4CCNCC4)C)C(=O)NCC#N

Isomeric SMILES

CC1CC(N(C1)C2=C(SC(=N2)C3=CC(=CC=C3)N4CCNCC4)C)C(=O)NCC#N

InChI

InChI=1S/C22H28N6OS/c1-15-12-19(21(29)25-7-6-23)28(14-15)20-16(2)30-22(26-20)17-4-3-5-18(13-17)27-10-8-24-9-11-27/h3-5,13,15,19,24H,7-12,14H2,1-2H3,(H,25,29)