Chem
J-GLOBAL ID：200907000366665420
Nikkaji number：J2.534.053A
10α-[[4-(2-Methoxyphenyl)piperazino]carbonyl]-10aα-benzyl-2,3,10,10a-tetrahydro-5H-oxazolo[3,2-b]isoquinoline-5-one
10α-[[4-(2-メトキシフェニル)ピペラジノ]カルボニル]-10aα-ベンジル-2,3,10,10a-テトラヒドロ-5H-オキサゾロ[3,2-b]イソキノリン-5-オン
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： C30H31N3O4
Molecular formula furigana： C30-H31-N3-O4
Molecular weight： 497.595
InChI：
InChI=1S/C30H31N3O4/c1-36-26-14-8-7-13-25(26)31-15-17-32(18-16-31)29(35)27-23-11-5-6-12-24(23)28(34)33-19-20-37-30(27,33)21-22-9-3-2-4-10-22/h2-14,27H,15-21H2,1H3/t27-,30-/m1/s1
InChI key：
BIQNLIZBCGFDAG-POURPWNDSA-N
SMILES：
COc1ccccc1N1CCN(CC1)C(=O)[C@H]1c2ccccc2C(=O)N2CCO[C@]12Cc1ccccc1
Systematic name (3)：
- 10α-[[4-(2-メトキシフェニル)ピペラジノ]カルボニル]-10aα-ベンジル-2,3,10,10a-テトラヒドロ-5H-オキサゾロ[3,2-b]イソキノリン-5-オン
- (10S,10aR)-10a-ベンジル-10-[4-(2-メトキシフェニル)ピペラジン-1-カルボニル]-2H,3H,5H,10H,10aH-[1,3]オキサゾロ[3,2-b]イソキノリン-5-オン
- (10S,10aR)-10a-benzyl-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H,3H,5H,10H,10aH-[1,3]oxazolo[3,2-b]isoquinolin-5-one
- 10α-[[4-(2-Methoxyphenyl)piperazino]carbonyl]-10aα-benzyl-2,3,10,10a-tetrahydro-5H-oxazolo[3,2-b]isoquinoline-5-one
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