4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(pyridin-2-ylmethylamino)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(pyridin-2-ylmethylamino)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(2-pyridylmethylamino)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-pyridinylmethylamino)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(pyridin-2-ylmethylamino)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(2-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=CC=CC=N4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)NCC4=CC=CC=N4)C#N)Cl

InChI

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