(3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-pyridin-2-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-pyridin-2-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-5-[4-(2-pyridyl)piperazin-1-yl]phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-[4-(2-pyridinyl)-1-piperazinyl]-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-pyridin-2-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-5-[4-(2-pyridyl)piperazino]phthalazin-1-yl]ammonium chloride Formula: C26H25Cl2N7O MolecularWeight: 522.429

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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)C5=CC=CC=N5)C#N)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)C5=CC=CC=N5)C#N)Cl.[Cl-]

InChI

InChI=1S/C26H24ClN7O.ClH/c1-35-24-6-5-18(13-22(24)27)16-30-26-20-12-19(15-28)14-23(21(20)17-31-32-26)33-8-10-34(11-9-33)25-4-2-3-7-29-25;/h2-7,12-14,17H,8-11,16H2,1H3,(H,30,32);1H