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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(pyridin-4-ylmethylamino)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(4-pyridylmethylamino)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(pyridin-4-ylmethylamino)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(pyridin-4-ylmethylamino)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(4-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=NC=C4)C#N)Cl

Isomeric SMILES

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

InChI

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