(Q27461248)

SCHEMBL12980464 (English)

19 October 2016

chemical formula

C₂₂H₂₉ClFN₃O

1 reference

SCHEMBL12980464 (English)

19 October 2016

canonical SMILES

CC1=CC(=NC(=C1)N)CC2CNCC2OCCCCCC3=CC(=CC(=C3)Cl)F

1 reference

SCHEMBL12980464 (English)

19 October 2016

isomeric SMILES

CC1=CC(=NC(=C1)N)C[C@@H]2CNC[C@@H]2OCCCCCC3=CC(=CC(=C3)Cl)F

1 reference

SCHEMBL12980464 (English)

InChI=1S/C22H29ClFN3O/c1-15-7-20(27-22(25)8-15)11-17-13-26-14-21(17)28-6-4-2-3-5-16-9-18(23)12-19(24)10-16/h7-10,12,17,21,26H,2-6,11,13-14H2,1H3,(H2,25,27)/t17-,21+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL12980464 (English)

MZDDSPGKIFAODF-UTKZUKDTSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL12980464 (English)

19 October 2016

1 reference

6-{[(3R,4R)-4-{[5-(3-Chloro-5-fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine (English)

19 October 2016

2 references

SCHEMBL12980464 (English)

matched by identifier from

19 October 2016

InChIKey

MZDDSPGKIFAODF-UTKZUKDTSA-N

1 reference

0 references

1 reference

3UFS (English)