(Q105285116)

English

(2S)-2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(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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340.132411132 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₁₆N₄O

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canonical SMILES

N#CCC1=CNC=2C(=CC=C(OC)C12)C(C#N)C3=CNC=4C=CC=CC43

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isomeric SMILES

COc1ccc([C@@H](C#N)c2c[nH]c3ccccc23)c2[nH]cc(CC#N)c12

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Isatis tinctoria

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Alkaloids from the root of Isatis indigotica

Identifiers

InChI=1S/C21H16N4O/c1-26-19-7-6-15(21-20(19)13(8-9-22)11-25-21)16(10-23)17-12-24-18-5-3-2-4-14(17)18/h2-7,11-12,16,24-25H,8H2,1H3/t16-/m1/s1

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VFCSQPLDMATYSC-MRXNPFEDSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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