1,4-bis[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile chloride

Systemtic Name: 1,4-bis[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile chloride Openeye Name: 1,4-bis[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile chloride CAS Name: 1,4-bis[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile chloride IUPAC Name: 1,4-bis[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile chloride Traditional Name: 1,4-bis[(3-chloro-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile chloride Formula: C25H21Cl3N5O2- MolecularWeight: 529.82554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl)Cl.[Cl-]

InChI

InChI=1S/C25H21Cl2N5O2.ClH/c1-33-22-7-4-16(10-20(22)26)13-29-24-18-6-3-15(12-28)9-19(18)25(32-31-24)30-14-17-5-8-23(34-2)21(27)11-17;/h3-11H,13-14H2,1-2H3,(H,29,31)(H,30,32);1H/p-1