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BIC

Summary
Name:3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Formula:C15 H19 N3 O2
Formal charge:0
Formula weight:273.33 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde
OpenEye OEToolkits1.5.0(3S,6S,9S)-6-amino-5-oxo-6-(phenylmethyl)-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carbaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3
SMILES_CANONICALCACTVS3.341N[C@]1(CCN2CC[C@@H](C=O)N2C1=O)Cc3ccccc3
SMILESCACTVS3.341N[C]1(CCN2CC[CH](C=O)N2C1=O)Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C=O)N
InChIInChI1.03InChI=1S/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1
InChIKeyInChI1.03JVDDTUQPPBUQDD-DZGCQCFKSA-N

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數據於2024-07-17公開中

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