4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(2-pyrimidinyl)-1-piperazinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-[4-(2-pyrimidyl)piperazino]phthalazine-6-carbonitrile Formula: C25H23ClN8O MolecularWeight: 486.95612

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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)C5=NC=CC=N5)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)C5=NC=CC=N5)C#N)Cl

InChI

InChI=1S/C25H23ClN8O/c1-35-23-4-3-17(12-21(23)26)15-30-24-19-11-18(14-27)13-22(20(19)16-31-32-24)33-7-9-34(10-8-33)25-28-5-2-6-29-25/h2-6,11-13,16H,7-10,15H2,1H3,(H,30,32)