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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=C(C=C2)N3CCNCC3)N4CCCC4C(=O)NCC#N

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=C(C=C2)N3CCNCC3)N4CCCC4C(=O)NCC#N

InChI

InChI=1S/C21H26N6OS/c1-15-19(27-12-2-3-18(27)20(28)24-9-8-22)25-21(29-15)16-4-6-17(7-5-16)26-13-10-23-11-14-26/h4-7,18,23H,2-3,9-14H2,1H3,(H,24,28)