Chem
J-GLOBAL ID:200907050634140619   Nikkaji number:J1.228.485C

3,3a,5aβ,6,7,8,9,9aβ-Octahydro-2β-methyl-3aα-(4-chlorophenyl)-6α,9α-methano-5H-pyrrolo[1,2-a][3,1]benzoxazine-1(2H)-one

(1R,2S,5S,7S,10R,11S)-7-(4-クロロフェニル)-5-メチル-8-オキサ-3-アザテトラシクロ[9.2.1.02,10.03,7]テトラデカン-4-オン
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: C19H22ClNO2
Molecular formula furigana: C19-H22-CL-N-O2
Molecular weight: 331.840
InChI: InChI=1S/C19H22ClNO2/c1-11-9-19(14-4-6-15(20)7-5-14)21(18(11)22)17-13-3-2-12(8-13)16(17)10-23-19/h4-7,11-13,16-17H,2-3,8-10H2,1H3/t11-,12-,13+,16+,17-,19-/m0/s1
InChI key: WKMLWONEIUILPG-YEBBFRBZSA-N
SMILES: C[C@H]1C[C@]2(OC[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N2C1=O)c1ccc(Cl)cc1
Systematic name  (3):
  • 3,3a,5aβ,6,7,8,9,9aβ-オクタヒドロ-2β-メチル-3aα-(4-クロロフェニル)-6α,9α-メタノ-5H-ピロロ[1,2-a][3,1]ベンゾオキサジン-1(2H)-オン
  • (1R,2S,5S,7S,10R,11S)-7-(4-クロロフェニル)-5-メチル-8-オキサ-3-アザテトラシクロ[9.2.1.02,10.03,7]テトラデカン-4-オン
  • (1R,2S,5S,7S,10R,11S)-7-(4-chlorophenyl)-5-methyl-8-oxa-3-azatetracyclo[9.2.1.02,10.03,7]tetradecan-4-one
Other name (1):
  • 3,3a,5aβ,6,7,8,9,9aβ-Octahydro-2β-methyl-3aα-(4-chlorophenyl)-6α,9α-methano-5H-pyrrolo[1,2-a][3,1]benzoxazine-1(2H)-one
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