Chem
J-GLOBAL ID：200907011704888661   Nikkaji number：J2.452.046C

(6R,7R)-5-Oxo-7-phenyl-10-benzyl-4a,5,6,7-tetrahydro-4a,10,11-triaza-10H-cyclohepta[b]naphthalene-6-acetic acid ethyl ester

(6R,7R)-5-オキソ-7-フェニル-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-酢酸エチル
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： C29H27N3O3
Molecular formula furigana： C29-H27-N3-O3
Molecular weight： 465.553
InChI： InChI=1S/C29H27N3O3/c1-2-35-26(33)19-24-23(22-13-7-4-8-14-22)16-18-31(20-21-11-5-3-6-12-21)28-27(24)29(34)32-17-10-9-15-25(32)30-28/h3-18,23-24H,2,19-20H2,1H3/t23-,24-/m1/s1
InChI key： PEHIOMIKAJOALG-DNQXCXABSA-N
SMILES： CCOC(=O)C[C@@H]1[C@H](C=CN(Cc2ccccc2)c2nc3ccccn3c(=O)c12)c1ccccc1
Systematic name  (3)：
  • (6R,7R)-5-オキソ-7-フェニル-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-酢酸エチル
  • エチル 2-[(11R,12R)-15-ベンジル-9-オキソ-12-フェニル-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]アセタート
  • ethyl 2-[(11R,12R)-15-benzyl-9-oxo-12-phenyl-2,8,15-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,4,6,13-pentaen-11-yl]acetate
Other name (1)：
  • (6R,7R)-5-Oxo-7-phenyl-10-benzyl-4a,5,6,7-tetrahydro-4a,10,11-triaza-10H-cyclohepta[b]naphthalene-6-acetic acid ethyl ester
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