Chem
J-GLOBAL ID：200907033730753271   Nikkaji number：J1.678.417F

4-(2,4-Dichloro-5-methoxyanilino)-6-methoxy-7-[3-(3α,4α,5α-trimethylpiperazino)propoxy]quinoline-3-carbonitrile

4-(2,4-ジクロロ-5-メトキシアニリノ)-6-メトキシ-7-[3-(3α,4α,5α-トリメチルピペラジノ)プロポキシ]キノリン-3-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： C28H33Cl2N5O3
Molecular formula furigana： C28-H33-CL2-N5-O3
Molecular weight： 558.500
InChI： InChI=1S/C28H33Cl2N5O3/c1-17-15-35(16-18(2)34(17)3)7-6-8-38-27-11-23-20(9-26(27)37-5)28(19(13-31)14-32-23)33-24-12-25(36-4)22(30)10-21(24)29/h9-12,14,17-18H,6-8,15-16H2,1-5H3,(H,32,33)/t17-,18+
InChI key： UZWNDXWGPCUGGI-HDICACEKSA-N
SMILES： COc1cc(Nc2c(cnc3cc(OCCCN4C[C@H](C)N(C)[C@H](C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl
Systematic name  (3)：
  • 4-(2,4-ジクロロ-5-メトキシアニリノ)-6-メトキシ-7-[3-(3α,4α,5α-トリメチルピペラジノ)プロポキシ]キノリン-3-カルボニトリル
  • 4-[(2,4-ジクロロ-5-メトキシフェニル)アミノ]-6-メトキシ-7-{3-[(3R,5S)-3,4,5-トリメチルピペラジン-1-イル]プロポキシ}キノリン-3-カルボニトリル
  • 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{3-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]propoxy}quinoline-3-carbonitrile
Other name (1)：
  • 4-(2,4-Dichloro-5-methoxyanilino)-6-methoxy-7-[3-(3α,4α,5α-trimethylpiperazino)propoxy]quinoline-3-carbonitrile
Thsaurus map：
Thesaurus Map

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