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

Systemtic Name: 1-(3-aminophenyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride Openeye Name: 1-(3-aminophenyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride CAS Name: 1-(3-aminophenyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 1-(3-aminophenyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride Traditional Name: 1-(3-aminophenyl)-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile dihydrochloride Formula: C23H20Cl3N5O MolecularWeight: 488.7968

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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=C4)N)Cl.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN5O.2ClH/c1-30-21-8-6-15(10-20(21)24)13-27-23-19-9-14(12-25)5-7-18(19)22(28-29-23)16-3-2-4-17(26)11-16;;/h2-11H,13,26H2,1H3,(H,27,29);2*1H