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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(pyridin-3-ylmethylamino)phthalazine-6-carbonitrile dihydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-pyridylmethylamino)phthalazine-6-carbonitrile dihydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-pyridinylmethylamino)-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(pyridin-3-ylmethylamino)phthalazine-6-carbonitrile dihydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-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=CN=CC=C4)Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)NCC4=CN=CC=C4)Cl.Cl.Cl

InChI

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