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Substance Name: 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(1-piperidinyl)-
RN: 169944-39-2
InChIKey: IVVZQZQMYNPIBV-ADHCAXNZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N4-O

Molecular Weight

  • 294.3562
 
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Names and Synonyms

Synonyms

  • 2-(2-Cyano-3-amino-3-piperidinoprop-2-enylidene)indolin-3-one
  • 3-Amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(1-piperidinyl)-2-propenenitrile

Systematic Name

  • 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(1-piperidinyl)-

Registry Numbers

CAS Registry Number

  • 169944-39-2

System Generated Number

  • 0169944392

Structure Descriptors

InChI

1S/C17H18N4O/c18-11-12(17(19)21-8-4-1-5-9-21)10-15-16(22)13-6-2-3-7-14(13)20-15/h2-3,6-7,10,20H,1,4-5,8-9,19H2/b15-10-,17-12+

InChIKey

IVVZQZQMYNPIBV-ADHCAXNZSA-N

Smiles

c1ccc2c(c1)C(=O)/C(=C/C(=C(/N)\N3CCCCC3)/C#N)/N2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 610, 1995.