444924-89-4
2-AMINO-1-(4-NITROPHENYL)-5-OXO-4,7-DIPHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Name2-AMINO-1-(4-NITROPHENYL)-5-OXO-4,7-DIPHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
1Identification
【Name】
2-AMINO-1-(4-NITROPHENYL)-5-OXO-4,7-DIPHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD02606176
【English Synonyms】
【Formula】
C28 H22 N4 O3
【MolWeight】
462.507
【Inchi】
InChI=1S/C28H22N4O3/c29-17-23-26(19-9-5-2-6-10-19)27-24(15-20(16-25(27)33)18-7-3-1-4-8-18)31(28(23)30)21-11-13-22(14-12-21)32(34)35/h1-14,20,26H,15-16,30H2
【InChIKey】
InChIKey=HCZYBRQCTZQMDF-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2CC3=C(C(C(=C(N3c4ccc(cc4)[N+](=O)[O-])N)C#N)c5ccccc5)C(=O)C2
【MOL File】
2-AMINO-1-(4-NITROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-1-(4-NITROPHENYL)-5-OXO-4,7-DIPHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE.cml