3-azanyl-1-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one hydrobromide

Systemtic Name: 3-azanyl-1-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one hydrobromide Openeye Name: 3-amino-1-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one hydrobromide CAS Name: 3-amino-1-[[1-(2,4-dinitrophenyl)-4-imidazolyl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one hydrobromide IUPAC Name: 3-amino-1-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one hydrobromide Traditional Name: 3-amino-1-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one hydrobromide Formula: C25H20BrN7O5 MolecularWeight: 578.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=CN(C=N4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])N.Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=CN(C=N4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])N.Br

InChI

InChI=1S/C25H19N7O5.BrH/c26-24-25(33)30(20-9-5-4-8-19(20)23(28-24)16-6-2-1-3-7-16)14-17-13-29(15-27-17)21-11-10-18(31(34)35)12-22(21)32(36)37;/h1-13,15,24H,14,26H2;1H