N-tert-butyl-4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-tert-butyl-4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-tert-butyl-4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-(6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-tert-butyl-4-(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-tert-butyl-4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)NC(C)(C)C

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)NC(C)(C)C

InChI

InChI=1S/C23H31N7O/c1-5-19-25-20(18-16-24-30(21(18)26-19)17-10-7-6-8-11-17)28-12-9-13-29(15-14-28)22(31)27-23(2,3)4/h6-8,10-11,16H,5,9,12-15H2,1-4H3,(H,27,31)