Chem
J-GLOBAL ID：200907017177058246   Nikkaji number：J2.452.049H

2-[(6R)-5-Oxo-10-benzyl-4a,5,6,7-tetrahydro-4a,10,11-triaza-10H-cyclohepta[b]naphthalene-6-yl]malonic acid diethyl ester

2-[(6R)-5-オキソ-10-ベンジル-4a,5,6,7-テトラヒドロ-4a,10,11-トリアザ-10H-シクロヘプタ[b]ナフタレン-6-イル]マロン酸ジエチル
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： C26H27N3O5
Molecular formula furigana： C26-H27-N3-O5
Molecular weight： 461.518
InChI： InChI=1S/C26H27N3O5/c1-3-33-25(31)22(26(32)34-4-2)19-13-10-15-28(17-18-11-6-5-7-12-18)23-21(19)24(30)29-16-9-8-14-20(29)27-23/h5-12,14-16,19,22H,3-4,13,17H2,1-2H3/t19-/m0/s1
InChI key： NUJBJZXQQRSCRY-IBGZPJMESA-N
SMILES： CCOC(=O)C([C@H]1CC=CN(Cc2ccccc2)c2nc3ccccn3c(=O)c12)C(=O)OCC
Systematic name  (3)：
  • 2-[(6R)-5-オキソ-10-ベンジル-4a,5,6,7-テトラヒドロ-4a,10,11-トリアザ-10H-シクロヘプタ[b]ナフタレン-6-イル]マロン酸ジエチル
  • 1,3-ジエチル 2-[(11R)-15-ベンジル-9-オキソ-2,8,15-トリアザトリシクロ[8.5.0.03,8]ペンタデカ-1(10),2,4,6,13-ペンタエン-11-イル]プロパンジオアート
  • 1,3-diethyl 2-[(11R)-15-benzyl-9-oxo-2,8,15-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,4,6,13-pentaen-11-yl]propanedioate
Other name (1)：
  • 2-[(6R)-5-Oxo-10-benzyl-4a,5,6,7-tetrahydro-4a,10,11-triaza-10H-cyclohepta[b]naphthalene-6-yl]malonic acid diethyl ester
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