Chem
J-GLOBAL ID：200907053247671150
Nikkaji number：J1.264.070F
3-Phenyl-4-[[(5R)-3-(4-nitrophenyl)-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-ニトロフェニル)-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： C26H26N3[N+]O4[O-]
Molecular formula furigana： C26-H26-N4-O5
Molecular weight： 474.517
InChI：
InChI=1S/C26H26N4O5/c1-25(2)17-12-13-26(25)22(14-17)29(28(24(26)32)18-6-4-3-5-7-18)23(31)21-15-20(27-35-21)16-8-10-19(11-9-16)30(33)34/h3-11,17,21-22H,12-15H2,1-2H3/t17?,21-,22?,26?/m1/s1
InChI key：
SSXMRTLLCXTNQA-YLYRRJFUSA-N
SMILES：
CC1(C)C2CCC31C(C2)N(N(C3=O)c1ccccc1)C(=O)[C@H]1CC(=NO1)c1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- 3-フェニル-4-[[(5R)-3-(4-ニトロフェニル)-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
- 10,10-ジメチル-4-[(5R)-3-(4-ニトロフェニル)-4,5-ジヒドロ-1,2-オキサゾール-5-カルボニル]-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
- 10,10-dimethyl-4-[(5R)-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
- 3-Phenyl-4-[[(5R)-3-(4-nitrophenyl)-2-isoxazolin-5α-yl]carbonyl]-10,10-dimethyl-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
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