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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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 ID CHEBI:115109
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H30N4O2
Net Charge 0
Average Mass 478.586
Monoisotopic Mass 478.23688
InChI InChI=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
InChIKey OCFSEPBSLYJRJI-UHFFFAOYSA-N
SMILES CC(C)C1=CC=C(C=C1)C2=NN(C=C2C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C5=CC=CC=C5
ChEBI Ontology
Outgoing 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)
Manual Xref Database
LSM-26570 LINCS
View more database links