tert-butyl 4-[4-cyano-5-[(E)-dimethylaminomethylideneamino]-1H-pyrazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-cyano-5-[(E)-dimethylaminomethylideneamino]-1H-pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-cyano-5-[(E)-dimethylaminomethyleneamino]-1H-pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-5-[(E)-dimethylaminomethylideneamino]-1H-pyrazol-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-5-[(E)-dimethylaminomethylideneamino]-1H-pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[4-cyano-5-[(E)-dimethylaminomethyleneamino]-1H-pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H25N7O2 MolecularWeight: 347.4154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2C#N)N=CN(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2C#N)/N=C/N(C)C

InChI

InChI=1S/C16H25N7O2/c1-16(2,3)25-15(24)23-8-6-22(7-9-23)14-12(10-17)13(19-20-14)18-11-21(4)5/h11H,6-9H2,1-5H3,(H,19,20)/b18-11+