1-[6,7-dimethoxy-4'-[4-[1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(dimethylamino)propan-1-one

Systemtic Name: 1-[6,7-dimethoxy-4'-[4-[1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(dimethylamino)propan-1-one Openeye Name: 1-[6,7-dimethoxy-4'-[4-[1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(dimethylamino)propan-1-one CAS Name: 1-[6,7-dimethoxy-4'-[[4-[1-[(3-methoxyphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-oxomethyl]-2-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]yl]-3-(dimethylamino)-1-propanone IUPAC Name: 1-[6,7-dimethoxy-4'-[4-[1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(dimethylamino)propan-1-one Traditional Name: 3-(dimethylamino)-1-[4'-[4-(1-m-anisylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-6,7-dimethoxy-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]propan-1-one Formula: C39H50N8O5 MolecularWeight: 710.8649

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)N1CCC2=CC(=C(C=C2C13CCC(CC3)C(=O)N4CCN(CC4)C5=NC=NC6=C5C=NN6CC7=CC(=CC=C7)OC)OC)OC

Isomeric SMILES

CN(C)CCC(=O)N1CCC2=CC(=C(C=C2C13CCC(CC3)C(=O)N4CCN(CC4)C5=NC=NC6=C5C=NN6CC7=CC(=CC=C7)OC)OC)OC

InChI

InChI=1S/C39H50N8O5/c1-43(2)15-12-35(48)46-16-11-29-22-33(51-4)34(52-5)23-32(29)39(46)13-9-28(10-14-39)38(49)45-19-17-44(18-20-45)36-31-24-42-47(37(31)41-26-40-36)25-27-7-6-8-30(21-27)50-3/h6-8,21-24,26,28H,9-20,25H2,1-5H3