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

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazin-1-ylphenyl)isothiazol-3-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[5-[4-(1-piperazinyl)phenyl]-3-isothiazolyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazinophenyl)isothiazol-3-yl]pyrrolidine-2-carboxamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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