2-(4-chlorophenyl)-5-imidazol-1-yl-4-[2-methyl-4-(2-phenylethynyl)phenoxy]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-5-imidazol-1-yl-4-[2-methyl-4-(2-phenylethynyl)phenoxy]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-5-imidazol-1-yl-4-[2-methyl-4-(2-phenylethynyl)phenoxy]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-5-(1-imidazolyl)-4-[2-methyl-4-(2-phenylethynyl)phenoxy]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-5-imidazol-1-yl-4-[2-methyl-4-(2-phenylethynyl)phenoxy]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-5-imidazol-1-yl-4-[2-methyl-4-(2-phenylethynyl)phenoxy]pyridazin-3-one Formula: C28H19ClN4O2 MolecularWeight: 478.92906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC2=CC=CC=C2)OC3=C(C=NN(C3=O)C4=CC=C(C=C4)Cl)N5C=CN=C5

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC2=CC=CC=C2)OC3=C(C=NN(C3=O)C4=CC=C(C=C4)Cl)N5C=CN=C5

InChI

InChI=1S/C28H19ClN4O2/c1-20-17-22(8-7-21-5-3-2-4-6-21)9-14-26(20)35-27-25(32-16-15-30-19-32)18-31-33(28(27)34)24-12-10-23(29)11-13-24/h2-6,9-19H,1H3