Chem
J-GLOBAL ID：201407079979260631
Nikkaji number：J3.241.986K
3aα-[3-(5-Chloro-3-pyridinyl)phenyl]-3a,4,5,6,7,7aα-hexahydrobenzoxazole-2-amine
3aα-[3-(5-クロロ-3-ピリジニル)フェニル]-3a,4,5,6,7,7aα-ヘキサヒドロベンゾオキサゾール-2-アミン
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： C18H18ClN3O
Molecular formula furigana： C18-H18-CL-N3-O
Molecular weight： 327.810
InChI：
InChI=1S/C18H18ClN3O/c19-15-9-13(10-21-11-15)12-4-3-5-14(8-12)18-7-2-1-6-16(18)23-17(20)22-18/h3-5,8-11,16H,1-2,6-7H2,(H2,20,22)/t16-,18-/m1/s1
InChI key：
NVRCQOQFKIFZLP-SJLPKXTDSA-N
SMILES：
NC1=N[C@]2(CCCC[C@H]2O1)c1cccc(c1)c1cncc(Cl)c1
Systematic name (3)：
- 3aα-[3-(5-クロロ-3-ピリジニル)フェニル]-3a,4,5,6,7,7aα-ヘキサヒドロベンゾオキサゾール-2-アミン
- (3aR,7aR)-3a-[3-(5-クロロピリジン-3-イル)フェニル]-3a,4,5,6,7,7a-ヘキサヒドロ-1,3-ベンゾオキサゾール-2-アミン
- (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
- 3aα-[3-(5-Chloro-3-pyridinyl)phenyl]-3a,4,5,6,7,7aα-hexahydrobenzoxazole-2-amine
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