4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[1-(2-chlorophenyl)-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-butan-2-yl-1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[1-(2-chlorophenyl)-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-piperazine-1-carboxamide Formula: C26H28ClN7O MolecularWeight: 489.99982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)N4CCN(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)N4CCN(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H28ClN7O/c1-3-18(2)23-30-24(20-17-28-34(25(20)31-23)22-12-8-7-11-21(22)27)32-13-15-33(16-14-32)26(35)29-19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,29,35)