(3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-imidazol-1-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-imidazol-1-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-5-(4-imidazol-1-ylpiperazin-1-yl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-[4-(1-imidazolyl)-1-piperazinyl]-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-imidazol-1-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-5-(4-imidazol-1-ylpiperazino)phthalazin-1-yl]ammonium chloride Formula: C24H24Cl2N8O MolecularWeight: 511.40636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)N5C=CN=C5)C#N)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)N5C=CN=C5)C#N)Cl.[Cl-]

InChI

InChI=1S/C24H23ClN8O.ClH/c1-34-23-3-2-17(11-21(23)25)14-28-24-19-10-18(13-26)12-22(20(19)15-29-30-24)31-6-8-32(9-7-31)33-5-4-27-16-33;/h2-5,10-12,15-16H,6-9,14H2,1H3,(H,28,30);1H