(6,7-diethoxyspiro[3,4-dihydro-2H-isoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(6-ethylpyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (6,7-diethoxyspiro[3,4-dihydro-2H-isoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(6-ethylpyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (6,7-diethoxyspiro[3,4-dihydro-2H-isoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(6-ethyl-2-pyridyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (6,7-diethoxy-1'-spiro[3,4-dihydro-2H-isoquinoline-1,4'-cyclohexane]yl)-[4-[1-[(6-ethyl-2-pyridinyl)methyl]-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (6,7-diethoxyspiro[3,4-dihydro-2H-isoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(6-ethylpyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (6,7-diethoxyspiro[3,4-dihydro-2H-isoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(6-ethyl-2-pyridyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]methanone Formula: C36H46N8O3 MolecularWeight: 638.80224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)C5CCC6(CC5)C7=CC(=C(C=C7CCN6)OCC)OCC

Isomeric SMILES

CCC1=NC(=CC=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)C5CCC6(CC5)C7=CC(=C(C=C7CCN6)OCC)OCC

InChI

InChI=1S/C36H46N8O3/c1-4-27-8-7-9-28(41-27)23-44-34-29(22-40-44)33(37-24-38-34)42-16-18-43(19-17-42)35(45)25-10-13-36(14-11-25)30-21-32(47-6-3)31(46-5-2)20-26(30)12-15-39-36/h7-9,20-22,24-25,39H,4-6,10-19,23H2,1-3H3