2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile (Q27196203)

MLS000075275 (English)

11 October 2016

chemical formula

C₁₆H₁₅ClN₄O

1 reference

MLS000075275 (English)

11 October 2016

canonical SMILES

CCCC1=C(C(=O)NN1)C(C2=CC(=CC=C2)Cl)C(C#N)C#N

1 reference

MLS000075275 (English)

InChI=1S/C16H15ClN4O/c1-2-4-13-15(16(22)21-20-13)14(11(8-18)9-19)10-5-3-6-12(17)7-10/h3,5-7,11,14H,2,4H2,1H3,(H2,20,21,22)

11 October 2016

Identifiers

InChI

1 reference

MLS000075275 (English)

XZBNCNIMVWBANH-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

MLS000075275 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[(3-Chlorophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile (English)

11 October 2016

1 reference

MLS000075275 (English)

11 October 2016

ChEBI ID

114798

mapping relation type

1 reference

2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile (English)

11 October 2016

1 reference