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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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