CHEBI:130742 - N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide

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ChEBI Name N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
ChEBI ID CHEBI:130742
Stars This entity has been manually annotated by a third party.
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Formula C23H25N3O3
Net Charge 0
Average Mass 391.464
Monoisotopic Mass 391.18959
InChI InChI=1S/C23H25N3O3/c1-15(28)25(3)13-21-23(22(14-27)26(21)16(2)29)19-9-7-18(8-10-19)20-6-4-5-17(11-20)12-24/h4-11,21-23,27H,13-14H2,1-3H3/t21-,22+,23-/m0/s1
InChIKey JPEKQWMSQCEZSD-ZRBLBEILSA-N
SMILES CC(=O)N1[C@H]([C@@H]([C@H]1CO)C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CN(C)C(=O)C
ChEBI Ontology
Outgoing N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide (CHEBI:130742) is a biphenyls (CHEBI:22888)
N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide (CHEBI:130742) is a nitrile (CHEBI:18379)
Manual Xref Database
LSM-42291 LINCS
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