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

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-[4-(1-piperazinyl)phenyl]-3-pyrazolyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazin-1-ylphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[2-methyl-5-(4-piperazinophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O/c1-16-13-20(22(30)25-8-7-23)29(15-16)21-14-19(26-27(21)2)17-3-5-18(6-4-17)28-11-9-24-10-12-28/h3-6,14,16,20,24H,8-13,15H2,1-2H3,(H,25,30)