Chem
J-GLOBAL ID：200907055335856464
Nikkaji number：J626.257K
1-[2α-(Pyrrolizinomethyl)piperidino]-2-[(5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten)-2-yl]ethanone
1-[2α-(ピロリジノメチル)ピペリジノ]-2-[(5-オキソ-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン)-2-イル]エタノン
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： C23H32N2O2
Molecular formula furigana： C23-H32-N2-O2
Molecular weight： 368.521
InChI：
InChI=1S/C23H32N2O2/c26-22-9-2-1-7-19-15-18(10-11-21(19)22)16-23(27)25-14-4-3-8-20(25)17-24-12-5-6-13-24/h10-11,15,20H,1-9,12-14,16-17H2/t20-/m0/s1
InChI key：
WKOBBCOVPVULHK-FQEVSTJZSA-N
SMILES：
O=C(Cc1ccc2c(CCCCC2=O)c1)N1CCCC[C@H]1CN1CCCC1
Systematic name (3)：
- 1-[2α-(ピロリジノメチル)ピペリジノ]-2-[(5-オキソ-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン)-2-イル]エタノン
- 2-{2-オキソ-2-[(2S)-2-[(ピロリジン-1-イル)メチル]ピペリジン-1-イル]エチル}-6,7,8,9-テトラヒドロ-5H-ベンゾ[7]アンヌレン-5-オン
- 2-{2-oxo-2-[(2S)-2-[(pyrrolidin-1-yl)methyl]piperidin-1-yl]ethyl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- 1-[2α-(Pyrrolizinomethyl)piperidino]-2-[(5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten)-2-yl]ethanone
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