(Q105114144)

English

(1R,15S,16S,21S)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-2,4,6,8,10,12,17,19-octaene

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

299.142247544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₇N₃

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canonical SMILES

N1=CC=CC2C1C3C4=C5N=C6C=CC=CC6=C5C=CN4C2CC3

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isomeric SMILES

C1=C[C@@H]2[C@H](N=C1)[C@H]1CC[C@@H]2n2ccc3c4ccccc4nc-3c21

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found in taxon

Nitraria komarovii

1 reference

stated in

Alkaloids ofNitraria komarovii. Structures of komarin and peganol-N-oxide

Identifiers

InChI

InChI=1S/C20H17N3/c1-2-6-16-12(4-1)13-9-11-23-17-8-7-15(20(23)19(13)22-16)18-14(17)5-3-10-21-18/h1-6,9-11,14-15,17-18H,7-8H2/t14-,15+,17-,18-/m0/s1

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InChIKey

IJUPATPRPWEWEG-MVJTYMMSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IJUPATPRPWEWEG-MVJTYMMSSA-N

(Q105114144)

(1R,15S,16S,21S)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-2,4,6,8,10,12,17,19-octaene

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Identifiers

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