Chem
J-GLOBAL ID:201707005633134485
Nikkaji number:J3.612.016I
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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:
C23 H24 N4 O3
Molecular formula furigana:
C23-H24-N4-O3
Molecular weight:
404.470
InChI:
InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
InChI key:
XRVDGNKRPOAQTN-FQEVSTJZSA-N
SMILES:
CC(C)Oc1ccc(cc1C#N)c1nc(no1)c1cccc2[C@H](CCc12)NCCO
Systematic name (3):
3-[3-[1β-(2-ヒドロキシエチルアミノ)-2,3-ジヒドロ-1H-インデン-4-イル]-1,2,4-オキサジアゾール-5-イル]-6-(イソプロピルオキシ)ベンゾニトリル
5-{3-[(1S)-1-[(2-ヒドロキシエチル)アミノ]-2,3-ジヒドロ-1H-インデン-4-イル]-1,2,4-オキサジアゾール-5-イル}-2-(プロパン-2-イルオキシ)ベンゾニトリル
5-{3-[(1S)-1-[(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl}-2-(propan-2-yloxy)benzonitrile
Other name (3):
3-[3-[1β-(2-Hydroxyethylamino)-2,3-dihydro-1H-indene-4-yl]-1,2,4-oxadiazole-5-yl]-6-(isopropyloxy)benzonitrile
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