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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-imidazol-1-yl-phthalazine-6-carbonitrile chloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-imidazol-1-yl-phthalazine-6-carbonitrile chloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(1-imidazolyl)-6-phthalazinecarbonitrile chloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-imidazol-1-ylphthalazine-6-carbonitrile chloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-imidazol-1-yl-phthalazine-6-carbonitrile chloride Formula: C20H15Cl2N6O- MolecularWeight: 426.2787

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)N4C=CN=C4)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4C=CN=C4)Cl.[Cl-]

InChI

InChI=1S/C20H15ClN6O.ClH/c1-28-18-5-3-14(9-17(18)21)11-24-19-16-8-13(10-22)2-4-15(16)20(26-25-19)27-7-6-23-12-27;/h2-9,12H,11H2,1H3,(H,24,25);1H/p-1