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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(pyridin-3-ylmethylamino)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-5-(3-pyridylmethylamino)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(3-pyridinylmethylamino)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(pyridin-3-ylmethylamino)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-5-(3-pyridylmethylamino)phthalazin-1-yl]ammonium chloride Formula: C23H20Cl2N6O MolecularWeight: 467.3505

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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)NCC4=CN=CC=C4)C#N)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)NCC4=CN=CC=C4)C#N)Cl.[Cl-]

InChI

InChI=1S/C23H19ClN6O.ClH/c1-31-22-5-4-15(8-20(22)24)12-28-23-18-7-17(10-25)9-21(19(18)14-29-30-23)27-13-16-3-2-6-26-11-16;/h2-9,11,14,27H,12-13H2,1H3,(H,28,30);1H