Chem
J-GLOBAL ID：200907034734943551   Nikkaji number：J1.610.208C

3-Cycloheptyl-4aβ,5,8,8aβ-tetrahydro-1-[3-[4-[4-(2H-tetrazole-5-yl)phenoxy]butoxy]-4-methoxyphenyl]phthalazine-4(3H)-one

3-シクロヘプチル-4aβ,5,8,8aβ-テトラヒドロ-1-[3-[4-[4-(2H-テトラゾール-5-イル)フェノキシ]ブトキシ]-4-メトキシフェニル]フタラジン-4(3H)-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： C33H40N6O4
Molecular formula furigana： C33-H40-N6-O4
Molecular weight： 584.721
InChI： InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1
InChI key： DNDNLFXKQSTINI-WUFINQPMSA-N
SMILES： COc1ccc(cc1OCCCCOc1ccc(cc1)c1nn[nH]n1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Systematic name  (3)：
  • 3-シクロヘプチル-4aβ,5,8,8aβ-テトラヒドロ-1-[3-[4-[4-(2H-テトラゾール-5-イル)フェノキシ]ブトキシ]-4-メトキシフェニル]フタラジン-4(3H)-オン
  • (4aS,8aR)-2-シクロヘプチル-4-(4-メトキシ-3-{4-[4-(2H-1,2,3,4-テトラゾール-5-イル)フェノキシ]ブトキシ}フェニル)-1,2,4a,5,8,8a-ヘキサヒドロフタラジン-1-オン
  • (4aS,8aR)-2-cycloheptyl-4-(4-methoxy-3-{4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
Other name (1)：
  • 3-Cycloheptyl-4aβ,5,8,8aβ-tetrahydro-1-[3-[4-[4-(2H-tetrazole-5-yl)phenoxy]butoxy]-4-methoxyphenyl]phthalazine-4(3H)-one
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