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Substance Name: 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(4-(diphenylmethyl)-1-piperazinyl)-
RN: 171853-08-0
InChIKey: JYNJGSWXUIDNNS-AAKSJYLHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H27-N5-O

Molecular Weight

  • 461.5663
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 171853-08-0

System Generated Number

  • 0171853080

Structure Descriptors

InChI

1S/C29H27N5O/c30-20-23(19-26-28(35)24-13-7-8-14-25(24)32-26)29(31)34-17-15-33(16-18-34)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,27,32H,15-18,31H2/b26-19-,29-23+

InChIKey

JYNJGSWXUIDNNS-AAKSJYLHSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)/C(=C(\C=C/4\C(=O)c5ccccc5N4)/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.