8-bromanyl-6-(furan-2-yl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid

Systemtic Name: 8-bromanyl-6-(furan-2-yl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid Openeye Name: acetic acid; 8-bromo-6-(2-furyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 8-bromo-6-(2-furanyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 8-bromo-6-(furan-2-yl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 8-bromo-6-(2-furyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(C=C(C=C3)Br)C(=NC(C2=N1)O)C4=CC=CO4.CC(=O)O

Isomeric SMILES

CC1=CN2C3=C(C=C(C=C3)Br)C(=NC(C2=N1)O)C4=CC=CO4.CC(=O)O

InChI

InChI=1S/C16H12BrN3O2.C2H4O2/c1-9-8-20-12-5-4-10(17)7-11(12)14(13-3-2-6-22-13)19-16(21)15(20)18-9;1-2(3)4/h2-8,16,21H,1H3;1H3,(H,3,4)