54951-32-5
2,3,4,5-TETRAHYDRO-3-(P-CHLOROPHENYL)-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE
Name2,3,4,5-TETRAHYDRO-3-(P-CHLOROPHENYL)-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE
1Identification
【Name】
2,3,4,5-TETRAHYDRO-3-(P-CHLOROPHENYL)-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE
【CAS】
【MDL】
MFCD01668204
【English Synonyms】
【Formula】
C20 H20 Cl N3 O
【MolWeight】
353.851
【Inchi】
InChI=1S/C20H20ClN3O/c21-16-8-5-14(6-9-16)17-10-7-15-3-1-2-4-18(15)24(20(17)25)13-19-22-11-12-23-19/h1-6,8-9,17H,7,10-13H2,(H,22,23)
【InChIKey】
InChIKey=XQKDTERCKFKPDY-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCC(C(=O)N2CC3=NCCN3)c4ccc(cc4)Cl
【MOL File】
2,3,4,5-TETRAHYDRO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,4,5-TETRAHYDRO-3-(P-CHLOROPHENYL)-1-[(2-IMIDAZOLIN-2-YL)METHYL]-1H-1-BENZAZEPIN-2-ONE.cml