87349-92-6
2,3,5,6-1H,4H-TETRAHYDRO-9-(3-PYRIDYL)QUINOLIZINO[9,9A,1-GH]COUMARIN
Name2,3,5,6-1H,4H-TETRAHYDRO-9-(3-PYRIDYL)QUINOLIZINO[9,9A,1-GH]COUMARIN
1Identification
【Name】
2,3,5,6-1H,4H-TETRAHYDRO-9-(3-PYRIDYL)QUINOLIZINO[9,9A,1-GH]COUMARIN
【CAS】
【MDL】
MFCD00467042
【English Synonyms】
【Formula】
C20 H18 N2 O2
【MolWeight】
318.374
【Inchi】
InChI=1S/C20H18N2O2/c23-20-17(14-4-1-7-21-12-14)11-15-10-13-5-2-8-22-9-3-6-16(18(13)22)19(15)24-20/h1,4,7,10-12H,2-3,5-6,8-9H2
【InChIKey】
InChIKey=OEEAIIVRKIVRNX-UHFFFAOYSA-N
【SMILES】
c1cc(cnc1)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4
【MOL File】
2,3,5,6-1H,4H-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,5,6-1H,4H-TETRAHYDRO-9-(3-PYRIDYL)QUINOLIZINO[9,9A,1-GH]COUMARIN.cml