Chem
J-GLOBAL ID:200907076293122209
Nikkaji number:J1.264.074I
3-Phenyl-4-[[(5R)-3-ethyl-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-エチル-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
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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:
C22 H27 N3 O3
Molecular formula furigana:
C22-H27-N3-O3
Molecular weight:
381.476
InChI:
InChI=1S/C22H27N3O3/c1-4-15-13-17(28-23-15)19(26)25-18-12-14-10-11-22(18,21(14,2)3)20(27)24(25)16-8-6-5-7-9-16/h5-9,14,17-18H,4,10-13H2,1-3H3/t14?,17-,18?,22?/m1/s1
InChI key:
KLDMPCZQTPMYBB-MNWXJWKNSA-N
SMILES:
CCC1=NO[C@H](C1)C(=O)N1C2CC3CCC2(C(=O)N1c1ccccc1)C3(C)C
Systematic name (3):
3-フェニル-4-[[(5R)-3-エチル-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-エチル-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-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-10,10-dimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.01,5 ]decan-2-one
Other name (1):
3-Phenyl-4-[[(5R)-3-ethyl-2-isoxazolin-5α-yl]carbonyl]-10,10-dimethyl-3,4-diazatricyclo[5.2.1.01,5 ]decan-2-one
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