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

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[1-[4-(1-piperazinyl)phenyl]-4-pyrazolyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazinophenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O/c1-16-12-20(21(29)24-7-6-22)27(14-16)19-13-25-28(15-19)18-4-2-17(3-5-18)26-10-8-23-9-11-26/h2-5,13,15-16,20,23H,7-12,14H2,1H3,(H,24,29)