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CHEBI:125082 - (1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide

ChEBI IDCHEBI:125082
ChEBI Name(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
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FormulaC26H24N4O2
Net Charge0
Average Mass424.504
Monoisotopic Mass424.18993
SMILESCOc1ccccc1NC(=O)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C26H24N4O2/c1-32-24-8-3-2-7-21(24)29-26(31)30-15-22-25(23(16-30)28-22)19-11-9-18(10-12-19)20-6-4-5-17(13-20)14-27/h2-13,22-23,25,28H,15-16H2,1H3,(H,29,31)/t22-,23+,25?
InChIKeyKZGDUPVRHRQTLE-HCGNOCCLSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125082) is a biphenyls (CHEBI:22888)
(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125082) is a nitrile (CHEBI:18379)
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