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

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[1-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-3-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazinophenyl)-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide Formula: C20H26N8O MolecularWeight: 394.47344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N8O/c1-15-12-18(19(29)23-7-6-21)27(13-15)20-24-14-28(25-20)17-4-2-16(3-5-17)26-10-8-22-9-11-26/h2-5,14-15,18,22H,7-13H2,1H3,(H,23,29)