Chem
J-GLOBAL ID:201207029512634455
Nikkaji number:J3.032.732B
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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:
C29 H34 Cl2 N6 O3 S2
Molecular formula furigana:
C29-H34-CL2-N6-O3-S2
Molecular weight:
649.650
InChI:
InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)
InChI key:
OFZJKCQENFPZBH-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(c2cc(Cl)cs2)c(s1)N1CCN(CC1)C1CCCCC1
Systematic name (3):
1-[3-クロロ-5-[[4-(4-クロロ-2-チエニル)-5-(4-シクロヘキシルピペラジノ)-2-チアゾリル]カルバモイル]-2-ピリジル]ピペリジン-4-カルボン酸
1-(3-クロロ-5-{[4-(4-クロロチオフェン-2-イル)-5-(4-シクロヘキシルピペラジン-1-イル)-1,3-チアゾール-2-イル]カルバモイル}ピリジン-2-イル)ピペリジン-4-カルボン酸
1-(3-chloro-5-{[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl}pyridin-2-yl)piperidine-4-carboxylic acid
Other name (3):
1-[3-Chloro-5-[[4-(4-chloro-2-thienyl)-5-(4-cyclohexylpiperazino)-2-thiazolyl]carbamoyl]-2-pyridyl]piperidine-4-carboxylic acid
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