CHEBI:107986 - 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
ChEBI ID CHEBI:107986
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H30N6O2
Net Charge 0
Average Mass 458.556
Monoisotopic Mass 458.24302
InChI InChI=1S/C26H30N6O2/c1-5-26(2,3)32-24(28-29-30-32)23(31-13-12-17-8-6-7-9-19(17)16-31)21-14-18-10-11-20(34-4)15-22(18)27-25(21)33/h6-11,14-15,23H,5,12-13,16H2,1-4H3,(H,27,33)
InChIKey WWWIBCLGMNAXSH-UHFFFAOYSA-N
SMILES CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C(C=C3)OC)NC2=O)N4CCC5=CC=CC=C5C4
ChEBI Ontology
Outgoing 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one (CHEBI:107986) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-19363 LINCS
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