이름: Di-tert-butyl (3-(2-(4-(cyano(pyridin-2-yl)methylene)piperidin-1-yl)-2-oxoacetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl)methyl phosphate
IUPAC: ditert-butyl [3-[2-[4-[cyano(pyridin-2-yl)methylidene]piperidin-1-yl]-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl phosphate
SMILES:
COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCC(=C(C#N)c3ccccn3)CC1)cn2COP(=O)(OC(C)(C)C)OC(C)(C)CCanonical SMILES:
CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCC(=C(C#N)C5=CC=CC=N5)CC4)COP(=O)(OC(C)(C)C)OC(C)(C)C)OC분자식: C34H41N8O7P
분자량: 704.70
InChIKey: ZQHHDFMQBMXDRG-UHFFFAOYSA-N
InChI:
PubChem CID: 59347403 →InChI=1S/C34H41N8O7P/c1-22-38-20-42(39-22)31-29-28(27(46-8)18-37-31)25(19-41(29)21-47-50(45,48-33(2,3)4)49-34(5,6)7)30(43)32(44)40-15-12-23(13-16-40)24(17-35)26-11-9-10-14-36-26/h9-11,14,18-20H,12-13,15-16,21H2,1-8H3동의어
SCHEMBL4099829ZQHHDFMQBMXDRG-UHFFFAOYSA-NDi-tert-butyl (3-(2-(4-(cyano(pyridin-2-yl)methylene)piperidin-1-yl)-2-oxoacetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl)methyl phosphate
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