Chem
J-GLOBAL ID：200907050535549548   Nikkaji number：J507.917I

4-(p-Chlorobenzyl)-2-[(1-methylhexahydro-1H-azepin)-4β-yl]phthalazin-1(2H)-one

4-(p-クロロベンジル)-2-[(1-メチルヘキサヒドロ-1H-アゼピン)-4β-イル]フタラジン-1(2H)-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： C22H24ClN3O
Molecular formula furigana： C22-H24-CL-N3-O
Molecular weight： 381.900
InChI： InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-/m0/s1
InChI key： MBUVEWMHONZEQD-SFHVURJKSA-N
SMILES： CN1CCC[C@@H](CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Systematic name  (4)：
  • 4-(4-クロロベンジル)-2-[(ヘキサヒドロ-1-メチル-1H-アゼピン)-4β-イル]フタラジン-1(2H)-オン
  • 4-(p-クロロベンジル)-2-[(1-メチルヘキサヒドロ-1H-アゼピン)-4β-イル]フタラジン-1(2H)-オン
  • 4-[(4-クロロフェニル)メチル]-2-[(4S)-1-メチルアゼパン-4-イル]-1,2-ジヒドロフタラジン-1-オン
  • 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]-1,2-dihydrophthalazin-1-one
Other name (1)：
  • 4-(p-Chlorobenzyl)-2-[(1-methylhexahydro-1H-azepin)-4β-yl]phthalazin-1(2H)-one
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