Chem
J-GLOBAL ID：201707011241363958
Nikkaji number：J3.600.234D
5′-Bromo-1′-methyl-3-phenyl-3β-hydroxy-7-(dibenzylamino)spiro[2H-1-benzopyran-4(3H),3′(2′H)-[1H]indole]-2′-one
5′-ブロモ-1′-メチル-3-フェニル-3β-ヒドロキシ-7-(ジベンジルアミノ)スピロ[2H-1-ベンゾピラン-4(3H),3′(2′H)-[1H]インドール]-2′-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： C37H31BrN2O3
Molecular formula furigana： C37-H31-BR-N2-O3
Molecular weight： 631.570
InChI：
InChI=1S/C37H31BrN2O3/c1-39-33-20-17-29(38)21-32(33)37(35(39)41)31-19-18-30(22-34(31)43-25-36(37,42)28-15-9-4-10-16-28)40(23-26-11-5-2-6-12-26)24-27-13-7-3-8-14-27/h2-22,42H,23-25H2,1H3/t36-,37?/m0/s1
InChI key：
HTQWNBPPWGHBHD-NWDJCJOJSA-N
SMILES：
CN1C(=O)C2(c3cc(Br)ccc13)c1ccc(cc1OC[C@]2(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
Systematic name (3)：
- 5′-ブロモ-1′-メチル-3-フェニル-3β-ヒドロキシ-7-(ジベンジルアミノ)スピロ[2H-1-ベンゾピラン-4(3H),3′(2′H)-[1H]インドール]-2′-オン
- (3S)-5'-ブロモ-7-(ジベンジルアミノ)-3-ヒドロキシ-1'-メチル-3-フェニル-1',2,2',3-テトラヒドロスピロ[1-ベンゾピラン-4,3'-インドール]-2'-オン
- (3S)-5'-bromo-7-(dibenzylamino)-3-hydroxy-1'-methyl-3-phenyl-1',2,2',3-tetrahydrospiro[1-benzopyran-4,3'-indol]-2'-one
- 5′-Bromo-1′-methyl-3-phenyl-3β-hydroxy-7-(dibenzylamino)spiro[2H-1-benzopyran-4(3H),3′(2′H)-[1H]indole]-2′-one
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