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Substance Name: N-(Iodoallyl)spiperone
RN: 124654-22-4
InChIKey: ATXGTUVMXAHMLW-PJQLUOCWSA-N

Molecular Formula

  • C26-H29-F-I-N3-O2

Molecular Weight

  • 561.432
 
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Names and Synonyms

Name of Substance

  • N-(Iodoallyl)spiperone

Synonyms

  • (E)-N-(Iodoallyl)spiperone
  • (Z)-N-(Iodoallyl)spiperone
  • NIASP

Systematic Name

  • 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(3-iodo-2-propenyl)-1-phenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 124654-22-4

System Generated Number

  • 0124654224

Structure Descriptors

InChI

1S/C26H29FIN3O2/c27-22-11-9-21(10-12-22)24(32)8-4-16-29-18-13-26(14-19-29)25(33)30(17-5-15-28)20-31(26)23-6-2-1-3-7-23/h1-3,5-7,9-12,15H,4,8,13-14,16-20H2/b15-5+

InChIKey

ATXGTUVMXAHMLW-PJQLUOCWSA-N

Smiles

N1(CN(C(C21CCN(CC2)CCCC(=O)c1ccc(cc1)F)=O)C\C=C\I)c1ccccc1