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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-pyridin-2-yl-phthalazine-6-carbonitrile dihydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(2-pyridyl)phthalazine-6-carbonitrile dihydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-pyridinyl)-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-pyridin-2-ylphthalazine-6-carbonitrile dihydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-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=CC=CC=N4)Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=CC=N4)Cl.Cl.Cl

InChI

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