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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile dihydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-(2-pyridyl)piperazin-1-yl]phthalazine-6-carbonitrile dihydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(2-pyridinyl)-1-piperazinyl]-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile dihydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[4-(2-pyridyl)piperazino]phthalazine-6-carbonitrile dihydrochloride Formula: C26H26Cl3N7O MolecularWeight: 558.88994

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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)N4CCN(CC4)C5=CC=CC=N5)Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCN(CC4)C5=CC=CC=N5)Cl.Cl.Cl

InChI

InChI=1S/C26H24ClN7O.2ClH/c1-35-23-8-6-19(15-22(23)27)17-30-25-21-14-18(16-28)5-7-20(21)26(32-31-25)34-12-10-33(11-13-34)24-4-2-3-9-29-24;;/h2-9,14-15H,10-13,17H2,1H3,(H,30,31);2*1H