3ND

(3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide


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Chemical Component Summary

Name(3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
Identifiers(3S,4R)-N-(7-chloro-1-oxo-4H-isoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
FormulaC20 H17 Cl2 N3 O2
Molecular Weight402.274
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl
InChIInChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-4,6-8,15-16,23H,5,9-10H2,(H,25,27)/t15-,16+/m0/s1
InChIKeyWWMMSIAGRVSGLG-JKSUJKDBSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count47
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 49866493