tert-butyl 4-[3-[[5-azanyl-1-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[5-azanyl-1-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[5-amino-1-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[5-amino-1-(1,3-benzothiazol-2-yl)-4-cyano-3-pyrazolyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[5-amino-1-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-3-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[5-amino-1-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28N8O2S MolecularWeight: 516.61792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N8O2S/c1-26(2,3)36-25(35)33-13-11-32(12-14-33)18-8-6-7-17(15-18)29-23-19(16-27)22(28)34(31-23)24-30-20-9-4-5-10-21(20)37-24/h4-10,15H,11-14,28H2,1-3H3,(H,29,31)