1-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(methylamino)propan-1-one

Systemtic Name: 1-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(methylamino)propan-1-one Openeye Name: 1-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-(m-tolylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(methylamino)propan-1-one CAS Name: 1-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[[4-[1-[(3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-oxomethyl]-2-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]yl]-3-(methylamino)-1-propanone IUPAC Name: 1-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(methylamino)propan-1-one Traditional Name: 1-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-(methylamino)propan-1-one Formula: C51H65N9O6 MolecularWeight: 900.1185

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=CC(=C(C=C2C1C3CC(CCC34C5=CC(=C(C=C5CCN4C(=O)CCNC)OC)OC)C(=O)N6CCN(CC6)C7=NC=NC8=C7C=NN8CC9=CC=CC(=C9)C)OC)OC

Isomeric SMILES

CCN1CCC2=CC(=C(C=C2C1C3CC(CCC34C5=CC(=C(C=C5CCN4C(=O)CCNC)OC)OC)C(=O)N6CCN(CC6)C7=NC=NC8=C7C=NN8CC9=CC=CC(=C9)C)OC)OC

InChI

InChI=1S/C51H65N9O6/c1-8-56-18-14-35-26-42(63-4)44(65-6)28-38(35)47(56)41-25-37(12-16-51(41)40-29-45(66-7)43(64-5)27-36(40)15-19-59(51)46(61)13-17-52-3)50(62)58-22-20-57(21-23-58)48-39-30-55-60(49(39)54-32-53-48)31-34-11-9-10-33(2)24-34/h9-11,24,26-30,32,37,41,47,52H,8,12-23,25,31H2,1-7H3