4SS

(S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one


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Chemical Component Summary

Name(S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one
Identifiers(1S)-1-(4-chlorophenyl)-6,7-diethoxy-2-[4-methyl-2-(1H-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]-1,4-dihydroisoquinolin-3-one
FormulaC28 H28 Cl N5 O4
Molecular Weight534.006
TypeNON-POLYMER
Isomeric SMILESCCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl
InChIInChI=1S/C28H28ClN5O4/c1-4-36-24-13-19-14-27(35)34(22-11-6-17(3)12-23(22)38-16-26-30-32-33-31-26)28(18-7-9-20(29)10-8-18)21(19)15-25(24)37-5-2/h6-13,15,28H,4-5,14,16H2,1-3H3,(H,30,31,32,33)/t28-/m0/s1
InChIKeyFOCZOWVAISYOAB-NDEPHWFRSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count1
Bond Count70
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 91820721