2-Methyl-4-(4-Methyl-1-Piperazinyl)-9,10-Dihydro-4H-Benzo[5,6]Cyclohepta[1,2-d][1,3]Oxazole (2Z)-2-Butenedioate (1:1)
[CAS# 28672-42-6]

Identification

• Name: 2-Methyl-4-(4-Methyl-1-Piperazinyl)-9,10-Dihydro-4H-Benzo[5,6]Cyclohepta[1,2-d][1,3]Oxazole (2Z)-2-Butenedioate (1:1)
• Synonyms: 2-methyl-4-(4-methylpiperazinyl)-4,9,10-trihydrobenzo[d]1,3-oxazolo[5,4-a][7]a nnulene, (2Z)but-2-enedioic acid; 2-methyl-4-(4-methylpiperazinyl)-4,9,10-trihydrobenzo[d]1,3-oxazolo[5,4-a][7]annulene, (2Z)but-2-enedioic acid
• Molecular Formula: C₂₂H₂₇N₃O₅
• Molecular Weight: 413.47
• CAS Registry Number: 28672-42-6
• SMILES: CC1=NC2=C(O1)CCC3=CC=CC=C3C2N4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O
• InChI: 1S/C18H23N3O.C4H4O4/c1-13-19-17-16(22-13)8-7-14-5-3-4-6-15(14)18(17)21-11-9-20(2)10-12-21;5-3(6)1-2-4(7)8/h3-6,18H,7-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: KHQCRJUIMBXDCY-BTJKTKAUSA-N

Properties

• Refractive index: (Cal.)