Chem
J-GLOBAL ID：200907001058232692   Nikkaji number：J1.152.906B

2-[4-(4-Biphenylylcarbonylamino)butyl]-1,2,3,3aα,4,9bβ-hexahydro[1]benzopyrano[3,4-c]pyrrole-8-carbonitrile

2-[4-(4-ビフェニリルカルボニルアミノ)ブチル]-1,2,3,3aα,4,9bβ-ヘキサヒドロ[1]ベンゾピラノ[3,4-c]ピロール-8-カルボニトリル
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： C29H29N3O2
Molecular formula furigana： C29-H29-N3-O2
Molecular weight： 451.570
InChI： InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m0/s1
InChI key： QQJHRQZZCNYDMX-AHKZPQOWSA-N
SMILES： O=C(NCCCCN1C[C@H]2COc3ccc(cc3[C@@H]2C1)C#N)c1ccc(cc1)c1ccccc1
Systematic name  (4)：
  • 2-[4-(4-ビフェニリルカルボニルアミノ)ブチル]-1,2,3,3aα,4,9bβ-ヘキサヒドロ[1]ベンゾピラノ[3,4-c]ピロール-8-カルボニトリル
  • (3aS,9bR)-2-[4-(4-ビフェニリルカルボニルアミノ)ブチル]-1,2,3,3a,4,9b-ヘキサヒドロ[1]ベンゾピラノ[3,4-c]ピロール-8-カルボニトリル
  • N-{4-[(2R,6S)-12-シアノ-8-オキサ-4-アザトリシクロ[7.4.0.02,6]トリデカ-1(13),9,11-トリエン-4-イル]ブチル}-[1,1'-ビフェニル]-4-カルボキサミド
  • N-{4-[(2R,6S)-12-cyano-8-oxa-4-azatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-4-yl]butyl}-[1,1'-biphenyl]-4-carboxamide
Other name (2)：
  • 2-[4-(4-Biphenylylcarbonylamino)butyl]-1,2,3,3aα,4,9bβ-hexahydro[1]benzopyrano[3,4-c]pyrrole-8-carbonitrile
  • (3aS,9bR)-2-[4-(4-Biphenylylcarbonylamino)butyl]-1,2,3,3a,4,9b-hexahydro[1]benzopyrano[3,4-c]pyrrole-8-carbonitrile
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