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CHEBI:115109 - 2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile

ChEBI IDCHEBI:115109
ChEBI Name2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
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DownloadsMolfile
FormulaC30H30N4O2
Net Charge0
Average Mass478.596
Monoisotopic Mass478.23688
SMILESCC(C)c1ccc(-c2nn(-c3ccccc3)cc2C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H30N4O2/c1-18(2)19-10-12-20(13-11-19)28-23(17-34(33-28)21-8-6-5-7-9-21)26-22(16-31)29(32)36-25-15-30(3,4)14-24(35)27(25)26/h5-13,17-18,26H,14-15,32H2,1-4H3
InChIKeyOCFSEPBSLYJRJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile (CHEBI:115109) is a pyrazoles (CHEBI:26410)
2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile (CHEBI:115109) is a ring assembly (CHEBI:36820)
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