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Substance Name: 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(((4-methoxyphenyl)methyl)amino)-
RN: 171853-10-4
InChIKey: QVWYCZLQRWJRJN-DKTIYYNXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-N4-O2

Molecular Weight

  • 346.3882
 
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Names and Synonyms

  • 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(((4-methoxyphenyl)methyl)amino)-

Registry Numbers

CAS Registry Number

  • 171853-10-4

System Generated Number

  • 0171853104

Structure Descriptors

InChI

1S/C20H18N4O2/c1-26-15-8-6-13(7-9-15)12-23-20(22)14(11-21)10-18-19(25)16-4-2-3-5-17(16)24-18/h2-10,23-24H,12,22H2,1H3/b18-10-,20-14-

InChIKey

QVWYCZLQRWJRJN-DKTIYYNXSA-N

Smiles

COc1ccc(cc1)CN/C(=C(/C=C\2/C(=O)c3ccccc3N2)\C#N)/N

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.