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

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-3-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazinophenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide Formula: C21H28N8O MolecularWeight: 408.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=NC(=NN2C)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

Isomeric SMILES

CC1CC(N(C1)C2=NC(=NN2C)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

InChI

InChI=1S/C21H28N8O/c1-15-13-18(20(30)24-8-7-22)29(14-15)21-25-19(26-27(21)2)16-3-5-17(6-4-16)28-11-9-23-10-12-28/h3-6,15,18,23H,8-14H2,1-2H3,(H,24,30)