Chem
J-GLOBAL ID：201407087595722630
Nikkaji number：J3.282.555I
8-Chloro-11-[1-[3-(3-methoxybenzoylamino)benzoyl]piperidine-4-ylidene]-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
8-クロロ-11-[1-[3-(3-メトキシベンゾイルアミノ)ベンゾイル]ピペリジン-4-イリデン]-5,6-ジヒドロ-11H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン
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
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
Molecular formula： C34H30ClN3O3
Molecular formula furigana： C34-H30-CL-N3-O3
Molecular weight： 564.080
InChI：
InChI=1S/C34H30ClN3O3/c1-41-29-9-3-5-25(21-29)33(39)37-28-8-2-6-26(20-28)34(40)38-17-14-22(15-18-38)31-30-13-12-27(35)19-24(30)11-10-23-7-4-16-36-32(23)31/h2-9,12-13,16,19-21H,10-11,14-15,17-18H2,1H3,(H,37,39)
InChI key：
FVHMISJOHWHFMH-UHFFFAOYSA-N
SMILES：
COc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc23)CC1
Systematic name (3)：
- 8-クロロ-11-[1-[3-(3-メトキシベンゾイルアミノ)ベンゾイル]ピペリジン-4-イリデン]-5,6-ジヒドロ-11H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン
- N-[3-(4-{13-クロロ-4-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-2-イリデン}ピペリジン-1-カルボニル)フェニル]-3-メトキシベンズアミド
- N-[3-(4-{13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
- 8-Chloro-11-[1-[3-(3-methoxybenzoylamino)benzoyl]piperidine-4-ylidene]-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
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