Ajmalan-17-one
HIT214314471
sdf文件结构编辑类似物检索
HIT ID: HIT214314471
Cas No: 3911-19-1
分子式: C20H22N2O2
分子量: 322.408
常用名: Ajmalan-17-one
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,9R,10S,12R,13E,16S,17S)-13-ethylidene-6-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-trien-18-one
IUPAC: (1R,9R,10S,12R,13E,16S,17S)-13-ethylidene-6-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-trien-18-one
SMILES: [H][C@]12[C@@H]3C[C@@]4(C1=O)c1cccc(O)c1N(C)[C@@]4([H])[C@@H]1C[C@H]2\C(CN31)=C/C |TLB:5:1:18.19:21.22,16:18:2.1:21.22,3:2:18.19:21.22|
SMILES: [H][C@]12[C@@H]3C[C@@]4(C1=O)c1cccc(O)c1N(C)[C@@]4([H])[C@@H]1C[C@H]2\C(CN31)=C/C |TLB:5:1:18.19:21.22,16:18:2.1:21.22,3:2:18.19:21.22|
InChI key: VVLPFXAEVKKWTK-QIGHCPNRSA-N
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