4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-imidazol-1-ylpiperazin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-imidazol-1-ylpiperazin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(4-imidazol-1-ylpiperazin-1-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(1-imidazolyl)-1-piperazinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-imidazol-1-ylpiperazin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(4-imidazol-1-ylpiperazino)phthalazine-6-carbonitrile Formula: C24H23ClN8O MolecularWeight: 474.94542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)N5C=CN=C5)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)N5C=CN=C5)C#N)Cl

InChI

InChI=1S/C24H23ClN8O/c1-34-23-3-2-17(11-21(23)25)14-28-24-19-10-18(13-26)12-22(20(19)15-29-30-24)31-6-8-32(9-7-31)33-5-4-27-16-33/h2-5,10-12,15-16H,6-9,14H2,1H3,(H,28,30)