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H4A

Summary
Name:(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
Formula:C15 H20 N2 O
Formal charge:0
Formula weight:244.332 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
OpenEye OEToolkits2.0.6(1~{R},5~{R},7~{R},8~{R},10~{R})-8-phenyl-3,11-diazatricyclo[5.3.1.0^{1,5}]undecan-10-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1CC3C4(C1)C(O)CC(c2ccccc2)C(C3)N4
InChIInChI1.03InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14-,15+/m1/s1
InChIKeyInChI1.03WNBPFOXFPIFLPO-RYPNDVFKSA-N
SMILES_CANONICALCACTVS3.385O[C@@H]1C[C@@H]([C@H]2C[C@@H]3CNC[C@@]13N2)c4ccccc4
SMILESCACTVS3.385O[CH]1C[CH]([CH]2C[CH]3CNC[C]13N2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C2CC(C34CNCC3CC2N4)O

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数据于2024-07-17公开中

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