338396-66-0
ETHYL 5-CYANO-6-[4-(4-METHOXYPHENYL)PIPERAZINO]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE
NameETHYL 5-CYANO-6-[4-(4-METHOXYPHENYL)PIPERAZINO]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE
1Identification
【Name】
ETHYL 5-CYANO-6-[4-(4-METHOXYPHENYL)PIPERAZINO]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE
【CAS】
【MDL】
MFCD00140600
【English Synonyms】
【Formula】
C20 H22 N4 O4
【MolWeight】
382.418
【Inchi】
InChI=1S/C20H22N4O4/c1-3-28-20(26)17-12-14(13-21)18(22-19(17)25)24-10-8-23(9-11-24)15-4-6-16(27-2)7-5-15/h4-7,12H,3,8-11H2,1-2H3,(H,22,25)
【InChIKey】
InChIKey=CLELQUUCWLPTPN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(c([nH]c1=O)N2CCN(CC2)c3ccc(cc3)OC)C#N
【MOL File】
ETHYL 5-CYANO-6-[4-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-CYANO-6-[4-(4-METHOXYPHENYL)PIPERAZINO]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE.cml