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

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[1-[4-(1-piperazinyl)phenyl]-3-pyrazolyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[1-(4-piperazinophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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