CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCOCC3)nc2)c(OCc2ccccc2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1

Name: Mixture ( 6 )

IUPAC: dibenzyl [4-[4-(6-morpholin-4-yl-3-pyridinyl)-5-oxo-1H-1,2,4-triazol-3-yl]-5-phenylmethoxy-2-propan-2-ylphenyl] phosphate

SMILES: CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCOCC3)nc2)c(OCc2ccccc2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1

Canonical SMILES: CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CN=C(C=C3)N4CCOCC4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7

Molecular formula: C41H42N5O7P

Molecular weight: 747.80

InChIKey: UGARQAXXAMMTCD-UHFFFAOYSA-N

InChI:

InChI=1S/C41H42N5O7P/c1-30(2)35-24-36(40-43-44-41(47)46(40)34-18-19-39(42-26-34)45-20-22-49-23-21-45)37(50-27-31-12-6-3-7-13-31)25-38(35)53-54(48,51-28-32-14-8-4-9-15-32)52-29-33-16-10-5-11-17-33/h3-19,24-26,30H,20-23,27-29H2,1-2H3,(H,44,47)

PubChem CID: 67340460 →

Synonyms

SCHEMBL2265707UGARQAXXAMMTCD-UHFFFAOYSA-Ndibenzyl 5-(benzyloxy)-4-(5-hydroxy-4-(6-morpholinopyridin-3-yl)-4H-1,2,4-triazol-3-yl)-2-isopropylphenyl phosphate

Involved in 2 reactions→