Chem
J-GLOBAL ID:200907083270653297
Nikkaji number:J355.998J
2,6-Dimethyl-4-[2-(trifluoromethyl)-3-pyridyl]-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[2-[4-[(4-benzhydrylpiperazin)-1-yl]phenyl]ethyl] ester
2,6-ジメチル-4-[2-(トリフルオロメチル)-3-ピリジル]-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-メチル5-[2-[4-[(4-ベンズヒドリルピペラジン)-1-イル]フェニル]エチル]
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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:
C41 H41 F3 N4 O4
Molecular formula furigana:
C41-H41-F3-N4-O4
Molecular weight:
710.798
InChI:
InChI=1S/C41H41F3N4O4/c1-27-34(39(49)51-3)36(33-15-10-21-45-38(33)41(42,43)44)35(28(2)46-27)40(50)52-26-20-29-16-18-32(19-17-29)47-22-24-48(25-23-47)37(30-11-6-4-7-12-30)31-13-8-5-9-14-31/h4-19,21,36-37,46H,20,22-26H2,1-3H3
InChI key:
NHMCJYMSORQBFV-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C)NC(=C(C1c1cccnc1C(F)(F)F)C(=O)OCCc1ccc(cc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C
Systematic name (3):
2,6-ジメチル-4-[2-(トリフルオロメチル)-3-ピリジル]-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-メチル5-[2-[4-[(4-ベンズヒドリルピペラジン)-1-イル]フェニル]エチル]
3'-(2-{4-[4-(ジフェニルメチル)ピペラジン-1-イル]フェニル}エチル) 5'-メチル 2',6'-ジメチル-2-(トリフルオロメチル)-1',4'-ジヒドロ-[3,4'-ビピリジン]-3',5'-ジカルボキシラート
3'-(2-{4-[4-(diphenylmethyl)piperazin-1-yl]phenyl}ethyl) 5'-methyl 2',6'-dimethyl-2-(trifluoromethyl)-1',4'-dihydro-[3,4'-bipyridine]-3',5'-dicarboxylate
Other name (1):
2,6-Dimethyl-4-[2-(trifluoromethyl)-3-pyridyl]-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[2-[4-[(4-benzhydrylpiperazin)-1-yl]phenyl]ethyl] ester
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