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CHEBI:128099 - (1R,5S)-N-(4-chlorophenyl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

ChEBI IDCHEBI:128099
ChEBI Name(1R,5S)-N-(4-chlorophenyl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
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FormulaC25H21ClN4O
Net Charge0
Average Mass428.923
Monoisotopic Mass428.14039
SMILESN#Cc1ccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H21ClN4O/c26-20-9-11-21(12-10-20)29-25(31)30-22-14-28-15-23(30)24(22)19-7-5-18(6-8-19)17-3-1-16(13-27)2-4-17/h1-12,22-24,28H,14-15H2,(H,29,31)/t22-,23+,24?
InChIKeyCKRBDNNNORABPR-VSGJHWFKSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5S)-N-(4-chlorophenyl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:128099) is a biphenyls (CHEBI:22888)
(1R,5S)-N-(4-chlorophenyl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:128099) is a nitrile (CHEBI:18379)
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