F0N

(3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one

Created: 2018-05-16
Last modified:  2019-07-31

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count2
Bond Count47
Aromatic Bond Count16
2D diagram of F0N

Chemical Component Summary

Name(3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one
Systematic Name (OpenEye OEToolkits)(3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one
FormulaC20 H19 N3 O
Molecular Weight317.384
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O=C1N[CH](c2ccccc12)c3c([nH]c4ccccc34)[CH]5CCCN5
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c(c([nH]2)C3CCCN3)C4c5ccccc5C(=O)N4
Canonical SMILESCACTVS3.385 O=C1N[C@@H](c2ccccc12)c3c([nH]c4ccccc34)[C@H]5CCCN5
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4
InChIInChI1.03 InChI=1S/C20H19N3O/c24-20-13-7-2-1-6-12(13)18(23-20)17-14-8-3-4-9-15(14)22-19(17)16-10-5-11-21-16/h1-4,6-9,16,18,21-22H,5,10-11H2,(H,23,24)/t16-,18+/m1/s1
InChIKeyInChI1.03 ZSGGJAFOTVJSHX-AEFFLSMTSA-N

Related Resource References

Resource NameReference
PubChem 138756243