Name | Rilmazafone Impurity 5 |
Synonyms | 5-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methyl]-1-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide |
CAS | 65699-25-4 |
InChI | InChI=1S/C28H26Cl2N6O3/c1-35(2)28(39)26-33-24(16-32-27(38)22(31)14-17-8-4-3-5-9-17)36(34-26)23-13-12-18(29)15-20(23)25(37)19-10-6-7-11-21(19)30/h3-13,15,22H,14,16,31H2,1-2H3,(H,32,38)/t22-/m0/s1 |
InChIKey | CXNRKWAOKCRMRY-QFIPXVFZSA-N |
Canonical Smiles | CN(C)C(=O)C1=NN(C(=N1)CNC(=O)C(CC2=CC=CC=C2)N)C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4Cl |
Isomers Smiles | CN(C)C(=O)C1=NN(C(=N1)CNC(=O)[C@H](CC2=CC=CC=C2)N)C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4Cl |
Molecular Formula | C28H26Cl2N6O3 |
Molar Mass | 565.4 |