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CHEBI:119969 - 3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide

ChEBI IDCHEBI:119969
ChEBI Name3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide
Stars
DownloadsMolfile
FormulaC29H30N4O4
Net Charge0
Average Mass498.583
Monoisotopic Mass498.22671
SMILESO=C(NCCCCc1ccccc1)C12CN(Cc3ccccc3)CC1C(c1ccc([N+](=O)[O-])cc1)=NO2
InChIInChI=1S/C29H30N4O4/c34-28(30-18-8-7-11-22-9-3-1-4-10-22)29-21-32(19-23-12-5-2-6-13-23)20-26(29)27(31-37-29)24-14-16-25(17-15-24)33(35)36/h1-6,9-10,12-17,26H,7-8,11,18-21H2,(H,30,34)
InChIKeyAJVHLBIZFWJCAE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide (CHEBI:119969) is a benzenes (CHEBI:22712)
3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide (CHEBI:119969) is a organic amino compound (CHEBI:50047)
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