(Q27092819)

ZINC12500947 (English)

6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₄H₂₄IN₃O₂

1 reference

ZINC12500947 (English)

4 October 2016

canonical SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CCC3)CC4=CC(=CC=C4)I

1 reference

ZINC12500947 (English)

4 October 2016

isomeric SMILES

C[C@H]1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CCC3)CC4=CC(=CC=C4)I

1 reference

ZINC12500947 (English)

InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m0/s1

4 October 2016

Identifiers

InChI

1 reference

ZINC12500947 (English)

QNURTFDBHAQRSI-HNNXBMFYSA-N

4 October 2016

InChIKey

1 reference

ZINC12500947 (English)

4 October 2016

1 reference

(5S)-6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone (English)

4 October 2016

2 references

ZINC12500947 (English)

matched by identifier from

4 October 2016

InChIKey

QNURTFDBHAQRSI-HNNXBMFYSA-N

1 reference

1 reference