4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(pyridin-3-ylmethylamino)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(pyridin-3-ylmethylamino)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(3-pyridylmethylamino)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(3-pyridinylmethylamino)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(pyridin-3-ylmethylamino)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(3-pyridylmethylamino)phthalazine-6-carbonitrile Formula: C23H19ClN6O MolecularWeight: 430.88956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)NCC4=CN=CC=C4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)NCC4=CN=CC=C4)C#N)Cl

InChI

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