[[3-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-oxidanylidene-propyl]-methyl-carbamoyl]oxymethyl cyclopropanecarboxylate

Systemtic Name: [[3-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonyl-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-oxidanylidene-propyl]-methyl-carbamoyl]oxymethyl cyclopropanecarboxylate Openeye Name: [[3-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-(4-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-oxo-propyl]-methyl-carbamoyl]oxymethyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [[[3-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[oxo-[4-[1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methyl]-2-spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]yl]-3-oxopropyl]-methylamino]-oxomethoxy]methyl ester IUPAC Name: [[3-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-oxopropyl]-methylcarbamoyl]oxymethyl cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [[3-[2'-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-4'-[4-[1-(4-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]spiro[3,4-dihydroisoquinoline-1,1'-cyclohexane]-2-yl]-3-keto-propyl]-methyl-carbamoyl]oxymethyl ester Formula: C55H68N10O10 MolecularWeight: 1029.18942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=CC(=C(C=C2C1C3CC(CCC34C5=CC(=C(C=C5CCN4C(=O)CCN(C)C(=O)OCOC(=O)C6CC6)OC)OC)C(=O)N7CCN(CC7)C8=NC=NC9=C8C=NN9CC1=CC=NC=C1)OC)OC

Isomeric SMILES

CCN1CCC2=CC(=C(C=C2C1C3CC(CCC34C5=CC(=C(C=C5CCN4C(=O)CCN(C)C(=O)OCOC(=O)C6CC6)OC)OC)C(=O)N7CCN(CC7)C8=NC=NC9=C8C=NN9CC1=CC=NC=C1)OC)OC

InChI

InChI=1S/C55H68N10O10/c1-7-61-20-13-37-27-44(70-3)46(72-5)29-40(37)49(61)43-26-39(52(67)63-24-22-62(23-25-63)50-41-31-59-65(51(41)58-33-57-50)32-35-11-17-56-18-12-35)10-16-55(43)42-30-47(73-6)45(71-4)28-38(42)14-21-64(55)48(66)15-19-60(2)54(69)75-34-74-53(68)36-8-9-36/h11-12,17-18,27-31,33,36,39,43,49H,7-10,13-16,19-26,32,34H2,1-6H3