Chem
J-GLOBAL ID：201307010387605981
Nikkaji number：J3.142.738J
21,22-Diazatricyclo[16.2.1.18,11]docosa-1(21),2,4,6,8(22),9,11,13,15,17,19-undecaene
21,22-ジアザトリシクロ[16.2.1.18,11]ドコサ-1(21),2,4,6,8(22),9,11,13,15,17,19-ウンデカエン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C20H16N2
Molecular formula furigana： C20-H16-N2
Molecular weight： 284.362
InChI：
InChI=1S/C20H16N2/c1-2-6-10-18-15-16-20(22-18)12-8-4-3-7-11-19-14-13-17(21-19)9-5-1/h1-16H/b2-1-,4-3-,5-1-,6-2+,7-3+,8-4-,9-5+,10-6+,11-7+,12-8+,17-9+,18-10-,19-11-,20-12+
InChI key：
IWCJELFJBPNKQF-YVUVVRHRSA-N
SMILES：
C1=C/C/2=C/C=C/C=C\C=C\3/C=CC(=N3)/C=C/C=C\C=C\C1=N2
Systematic name (3)：
- 21,22-ジアザトリシクロ[16.2.1.18,11]ドコサ-1(21),2,4,6,8(22),9,11,13,15,17,19-ウンデカエン
- 21,22-ジアザトリシクロ[16.2.1.18,11]ドコサ-1,3,5,7,9,11(22),12,14,16,18(21),19-ウンデカエン
- 21,22-diazatricyclo[16.2.1.18,11]docosa-1,3,5,7,9,11(22),12,14,16,18(21),19-undecaene
- 21,22-Diazatricyclo[16.2.1.18,11]docosa-1(21),2,4,6,8(22),9,11,13,15,17,19-undecaene
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