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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(pyridin-4-ylmethylamino)phthalazine-6-carbonitrile chloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-pyridylmethylamino)phthalazine-6-carbonitrile chloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(pyridin-4-ylmethylamino)-6-phthalazinecarbonitrile chloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(pyridin-4-ylmethylamino)phthalazine-6-carbonitrile chloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-pyridylmethylamino)phthalazine-6-carbonitrile chloride Formula: C23H19Cl2N6O- MolecularWeight: 466.34256

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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)NCC4=CC=NC=C4)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-]

InChI

InChI=1S/C23H19ClN6O.ClH/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);1H/p-1