(Q7277832)

CHEMBL1643896 (English)

21 September 2016

chemical formula

C₁₉H₂₅IN₂O

1 reference

CHEMBL1643896 (English)

21 September 2016

canonical SMILES

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)N4CCCC4

1 reference

CHEMBL1643896 (English)

21 September 2016

isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)I)C(=O)N4CCCC4

1 reference

CHEMBL1643896 (English)

InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1

21 September 2016

Identifiers

InChI

1 reference

CHEMBL1643896 (English)

21 September 2016

1 reference

CHEMBL1643896 (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

160948-17-4

2 references

English Wikipedia

https://commonchemistry.cas.org/detail?cas_rn=160948-17-4

8 April 2021

1 reference

[(1R,2S,3S,5S)-3-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl](1-pyrrolidinyl)methanone (English)

21 September 2016

2 references

CHEMBL1643896 (English)

matched by identifier from

21 September 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL1643896 (English)

21 September 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

DTXCID80383545

0 references

UNII

4XC2A2NPZ2

1 reference

matched by identifier from