2-(2-azanylethyl)-5,6-bis(4-chlorophenyl)-4-ethanoyl-pyridazin-3-one bromide

Systemtic Name: 2-(2-azanylethyl)-5,6-bis(4-chlorophenyl)-4-ethanoyl-pyridazin-3-one bromide Openeye Name: 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one bromide CAS Name: 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)-3-pyridazinone bromide IUPAC Name: 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one bromide Traditional Name: 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one bromide Formula: C20H17BrCl2N3O2- MolecularWeight: 482.17788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN(C1=O)CCN)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC(=O)C1=C(C(=NN(C1=O)CCN)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C20H17Cl2N3O2.BrH/c1-12(26)17-18(13-2-6-15(21)7-3-13)19(14-4-8-16(22)9-5-14)24-25(11-10-23)20(17)27;/h2-9H,10-11,23H2,1H3;1H/p-1