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

Systemtic Name: 4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide Openeye Name: 4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide CAS Name: 4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(4-chlorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide Traditional Name: 4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide Formula: C27H30ClN7O MolecularWeight: 504.0264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN7O/c1-3-4-10-23-30-25(24-19(2)32-35(26(24)31-23)22-8-6-5-7-9-22)33-15-17-34(18-16-33)27(36)29-21-13-11-20(28)12-14-21/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,29,36)