Chem
J-GLOBAL ID：200907048552465620
Nikkaji number：J1.264.071D
3-Phenyl-4-[[(5R)-3-(4-cyanophenyl)-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-シアノフェニル)-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： C27H26N4O3
Molecular formula furigana： C27-H26-N4-O3
Molecular weight： 454.530
InChI：
InChI=1S/C27H26N4O3/c1-26(2)19-12-13-27(26)23(14-19)31(30(25(27)33)20-6-4-3-5-7-20)24(32)22-15-21(29-34-22)18-10-8-17(16-28)9-11-18/h3-11,19,22-23H,12-15H2,1-2H3/t19?,22-,23?,27?/m1/s1
InChI key：
JNPMGJAMRIXAIO-JNSRVHGXSA-N
SMILES：
CC1(C)C2CCC31C(C2)N(N(C3=O)c1ccccc1)C(=O)[C@H]1CC(=NO1)c1ccc(cc1)C#N
Systematic name (3)：
- 3-フェニル-4-[[(5R)-3-(4-シアノフェニル)-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)-5-{10,10-ジメチル-2-オキソ-3-フェニル-3,4-ジアザトリシクロ[5.2.1.01,5]デカン-4-カルボニル}-4,5-ジヒドロ-1,2-オキサゾール-3-イル]ベンゾニトリル
- 4-[(5R)-5-{10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decane-4-carbonyl}-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
- 3-Phenyl-4-[[(5R)-3-(4-cyanophenyl)-2-isoxazolin-5α-yl]carbonyl]-10,10-dimethyl-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
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