4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(pyridin-2-ylmethylamino)phthalazine-6-carbonitrile dihydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(pyridin-2-ylmethylamino)phthalazine-6-carbonitrile dihydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(2-pyridylmethylamino)phthalazine-6-carbonitrile dihydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-pyridinylmethylamino)-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(pyridin-2-ylmethylamino)phthalazine-6-carbonitrile dihydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-pyridylmethylamino)phthalazine-6-carbonitrile dihydrochloride Formula: C23H21Cl3N6O MolecularWeight: 503.81144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)NCC4=CC=CC=N4)Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)NCC4=CC=CC=N4)Cl.Cl.Cl

InChI

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