6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine (Q27449912)

CHEMBL1956739 (English)

18 October 2016

chemical formula

C₂₁H₃₀N₄O₂

1 reference

CHEMBL1956739 (English)

18 October 2016

canonical SMILES

CC1=CC(=NC(=C1)N)CC2CNCC2OCCNCC3=CC=CC=C3OC

1 reference

CHEMBL1956739 (English)

18 October 2016

isomeric SMILES

CC1=CC(=NC(=C1)N)C[C@H]2CNC[C@H]2OCCNCC3=CC=CC=C3OC

1 reference

CHEMBL1956739 (English)

InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1

18 October 2016

Identifiers

InChI

1 reference

CHEMBL1956739 (English)

CNZPKQOAIMARQF-FXAWDEMLSA-N

18 October 2016

InChIKey

1 reference

CHEMBL1956739 (English)

18 October 2016

1 reference

6-{[(3S,4S)-4-{2-[(2-Methoxybenzyl)amino]ethoxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine (English)

18 October 2016

2 references

CHEMBL1956739 (English)

matched by identifier from

18 October 2016

InChIKey

CNZPKQOAIMARQF-FXAWDEMLSA-N

1 reference

CHEMBL1956739 (English)

18 October 2016

1 reference

0 references

1 reference

3TYM (English)