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Substance Name: Acetamide, N-(4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)-2-((3-(2-methyl-1-piperidinyl)propyl)amino)-, (Z)-2-butenedioate (1:2)
RN: 85723-21-3
InChIKey: WOWVEPQVQDZLFG-LVEZLNDCSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C23-H32-F-N5-O2

Molecular Weight

  • 661.68
 
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Names and Synonyms

  • Acetamide, N-(4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)-2-((3-(2-methyl-1-piperidinyl)propyl)amino)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 85723-21-3

System Generated Number

  • 0085723213

Structure Descriptors

InChI

1S/C23H32FN5O2.2C4H4O4/c1-16-9-6-7-13-29(16)14-8-12-25-15-20(30)26-23-21(17(2)27-28(23)3)22(31)18-10-4-5-11-19(18)24;2*5-3(6)1-2-4(7)8/h4-5,10-11,16,25H,6-9,12-15H2,1-3H3,(H,26,30);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

WOWVEPQVQDZLFG-LVEZLNDCSA-N

Smiles

Cc1nn(c(c1C(=O)c2c(cccc2)F)NC(=O)CNCCCN3C(CCCC3)C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O