Chem
J-GLOBAL ID：201007079708524650
Nikkaji number：J2.823.393K
1α-(4-Fluorophenyl)-1-(3-aminopropyl)-1,3-dihydroisobenzofuran-5-carbonitrile
1α-(4-フルオロフェニル)-1-(3-アミノプロピル)-1,3-ジヒドロイソベンゾフラン-5-カルボニトリル
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： C18H17FN2O
Molecular formula furigana： C18-H17-F-N2-O
Molecular weight： 296.345
InChI：
InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2/t18-/m0/s1
InChI key：
RKUKMUWCRLRPEJ-SFHVURJKSA-N
SMILES：
NCCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Systematic name (4)：
- 1α-(4-フルオロフェニル)-1-(3-アミノプロピル)-1,3-ジヒドロイソベンゾフラン-5-カルボニトリル
- (S)-1-(3-アミノプロピル)-1-(4-フルオロフェニル)-1,3-ジヒドロイソベンゾフラン-5-カルボニトリル
- (1S)-1-(3-アミノプロピル)-1-(4-フルオロフェニル)-1,3-ジヒドロ-2-ベンゾフラン-5-カルボニトリル
- (1S)-1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
- 1α-(4-Fluorophenyl)-1-(3-aminopropyl)-1,3-dihydroisobenzofuran-5-carbonitrile
- (S)-1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
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