Chem
J-GLOBAL ID：200907085379960850
Nikkaji number：J1.264.069B
3-Phenyl-4-[[(5R)-3-(4-methoxyphenyl)-2-isoxazolin-5α-yl]carbonyl]-10,10-dimethyl-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
3-フェニル-4-[[(5R)-3-(4-メトキシフェニル)-2-イソオキサゾリン-5α-イル]カルボニル]-10,10-ジメチル-3,4-ジアザトリシクロ[5.2.1.01,5]デカン-2-オン
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： C27H29N3O4
Molecular formula furigana： C27-H29-N3-O4
Molecular weight： 459.546
InChI：
InChI=1S/C27H29N3O4/c1-26(2)18-13-14-27(26)23(15-18)30(29(25(27)32)19-7-5-4-6-8-19)24(31)22-16-21(28-34-22)17-9-11-20(33-3)12-10-17/h4-12,18,22-23H,13-16H2,1-3H3/t18?,22-,23?,27?/m1/s1
InChI key：
MIZGQROEUYCCAV-OYHPAQDOSA-N
SMILES：
COc1ccc(cc1)C1=NO[C@H](C1)C(=O)N1C2CC3CCC2(C(=O)N1c1ccccc1)C3(C)C
Systematic name (3)：
- 3-フェニル-4-[[(5R)-3-(4-メトキシフェニル)-2-イソオキサゾリン-5α-イル]カルボニル]-10,10-ジメチル-3,4-ジアザトリシクロ[5.2.1.01,5]デカン-2-オン
- 4-[(5R)-3-(4-メトキシフェニル)-4,5-ジヒドロ-1,2-オキサゾール-5-カルボニル]-10,10-ジメチル-3-フェニル-3,4-ジアザトリシクロ[5.2.1.01,5]デカン-2-オン
- 4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-10,10-dimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
- 3-Phenyl-4-[[(5R)-3-(4-methoxyphenyl)-2-isoxazolin-5α-yl]carbonyl]-10,10-dimethyl-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
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