233748-97-5
1-BUTYL-5-[2-(1-BUTYL-3,3-DIMETHYL-1,3-DIHYDROINDOL-2-YLIDENE)ETHYLIDENE]-4-METHYL-2,6-DIOXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
Name1-BUTYL-5-[2-(1-BUTYL-3,3-DIMETHYL-1,3-DIHYDROINDOL-2-YLIDENE)ETHYLIDENE]-4-METHYL-2,6-DIOXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
1Identification
【Name】
1-BUTYL-5-[2-(1-BUTYL-3,3-DIMETHYL-1,3-DIHYDROINDOL-2-YLIDENE)ETHYLIDENE]-4-METHYL-2,6-DIOXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
【CAS】
【MDL】
MFCD16619288
【English Synonyms】
【Formula】
C27 H33 N3 O2
【MolWeight】
431.577
【Inchi】
InChI=1S/C27H33N3O2/c1-6-8-16-29-23-13-11-10-12-22(23)27(4,5)24(29)15-14-20-19(3)21(18-28)26(32)30(25(20)31)17-9-7-2/h10-15H,6-9,16-17H2,1-5H3/b20-14+,24-15-
【InChIKey】
InChIKey=SZIUNQUOZSLTOZ-NNZNKXMBSA-N
【SMILES】
CCCCN\1c2ccccc2C(/C1=C/C=C/3\C(=C(C(=O)N(C3=O)CCCC)C#N)C)(C)C
【MOL File】
1-BUTYL-5-[2-(1-BUTY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BUTYL-5-[2-(1-BUTYL-3,3-DIMETHYL-1,3-DIHYDROINDOL-2-YLIDENE)ETHYLIDENE]-4-METHYL-2,6-DIOXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE.cml