Chem
J-GLOBAL ID:200907000482974805
Nikkaji number:J355.411B
4-[(S)-3-(tert-Butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
4-[(S)-3-(tert-ブチルアミノ)-2-ヒドロキシプロポキシ]-1H-インドール-2-カルボニトリル
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Substance type:
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
Molecular formula:
C16 H21 N3 O2
Molecular formula furigana:
C16-H21-N3-O2
Molecular weight:
287.363
InChI:
InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3/t12-/m0/s1
InChI key:
QXIUMMLTJVHILT-LBPRGKRZSA-N
SMILES:
CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(cc12)C#N
Systematic name (3):
4-[(S)-3-(tert-ブチルアミノ)-2-ヒドロキシプロポキシ]-1H-インドール-2-カルボニトリル
4-[(2S)-3-(tert-ブチルアミノ)-2-ヒドロキシプロポキシ]-1H-インドール-2-カルボニトリル
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
Other name (1):
4-[(S)-3-(tert-Butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
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