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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-pyridin-3-yl-phthalazine-6-carbonitrile dihydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-pyridyl)phthalazine-6-carbonitrile dihydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-pyridinyl)-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-pyridin-3-ylphthalazine-6-carbonitrile dihydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-pyridyl)phthalazine-6-carbonitrile dihydrochloride Formula: C22H18Cl3N5O MolecularWeight: 474.77022

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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)C4=CN=CC=C4)Cl.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5O.2ClH/c1-29-20-7-5-15(10-19(20)23)12-26-22-18-9-14(11-24)4-6-17(18)21(27-28-22)16-3-2-8-25-13-16;;/h2-10,13H,12H2,1H3,(H,26,28);2*1H