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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-[4-(2-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-[4-(2-hydroxyethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(2-hydroxyethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(2-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-[4-(2-hydroxyethyl)piperidino]phthalazine-6-carbonitrile Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)CCO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)CCO)C#N)Cl

InChI

InChI=1S/C24H26ClN5O2/c1-32-23-3-2-17(11-21(23)25)14-27-24-19-10-18(13-26)12-22(20(19)15-28-29-24)30-7-4-16(5-8-30)6-9-31/h2-3,10-12,15-16,31H,4-9,14H2,1H3,(H,27,29)