6-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)phthalazin-1-amine dihydrochloride

Systemtic Name: 6-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)phthalazin-1-amine dihydrochloride Openeye Name: 6-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-4-(3-pyridylmethyl)phthalazin-1-amine dihydrochloride CAS Name: 6-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)-1-phthalazinamine dihydrochloride IUPAC Name: 6-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)phthalazin-1-amine dihydrochloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[6-chloro-4-(3-pyridylmethyl)phthalazin-1-yl]amine dihydrochloride Formula: C22H20Cl4N4O MolecularWeight: 498.2324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)Cl)CC4=CN=CC=C4)Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)Cl)CC4=CN=CC=C4)Cl.Cl.Cl

InChI

InChI=1S/C22H18Cl2N4O.2ClH/c1-29-21-7-4-15(9-19(21)24)13-26-22-17-6-5-16(23)11-18(17)20(27-28-22)10-14-3-2-8-25-12-14;;/h2-9,11-12H,10,13H2,1H3,(H,26,28);2*1H