(Q105206517)

English

(2S)-2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(4-methoxy-1H-indol-3-yl)acetonitrile

chemical compound

In more languages

Statements

type of chemical entity

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tryptamine alkaloid

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370.142975816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₁₈N₄O₂

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canonical SMILES

N#CCC1=CNC=2C(=CC=C(OC)C12)C(C#N)C3=CNC=4C=CC=C(OC)C43

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isomeric SMILES

COc1cccc2[nH]cc([C@H](C#N)c3ccc(OC)c4c(CC#N)c[nH]c34)c12

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Isatis tinctoria

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Alkaloids from the root of Isatis indigotica

Identifiers

InChI=1S/C22H18N4O2/c1-27-18-5-3-4-17-21(18)16(12-25-17)15(10-24)14-6-7-19(28-2)20-13(8-9-23)11-26-22(14)20/h3-7,11-12,15,25-26H,8H2,1-2H3/t15-/m1/s1

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PDIDHZDRZQKFOX-OAHLLOKOSA-N

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1 reference

26 December 2021

UniChem compound ID

1 reference

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