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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-methylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-5-(4-methylpiperazin-1-yl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-methyl-1-piperazinyl)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-methylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-5-(4-methylpiperazino)phthalazin-1-yl]ammonium chloride Formula: C22H24Cl2N6O MolecularWeight: 459.37156

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)[NH2+]CC4=CC(=C(C=C4)OC)Cl)C#N.[Cl-]

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)[NH2+]CC4=CC(=C(C=C4)OC)Cl)C#N.[Cl-]

InChI

InChI=1S/C22H23ClN6O.ClH/c1-28-5-7-29(8-6-28)20-11-16(12-24)9-17-18(20)14-26-27-22(17)25-13-15-3-4-21(30-2)19(23)10-15;/h3-4,9-11,14H,5-8,13H2,1-2H3,(H,25,27);1H