7ZA

2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone


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Chemical Component Summary

Name2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
Identifiers(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone
FormulaC32 H36 N4 O3
Molecular Weight524.653
TypeNON-POLYMER
Isomeric SMILESCCOc1cc(ccc1OC(C)C)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N
InChIInChI=1S/C32H36N4O3/c1-4-38-29-20-24(12-15-28(29)39-21(2)3)30(35-25-13-14-26-23(19-25)16-17-34-31(26)33)32(37)36-18-8-11-27(36)22-9-6-5-7-10-22/h5-7,9-10,12-17,19-21,27,30,35H,4,8,11,18H2,1-3H3,(H2,33,34)/t27-,30-/m1/s1
InChIKeyICHSQGVMXMADMI-POURPWNDSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count2
Bond Count79
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 129009705