4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile chloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile chloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-hydroxy-1-piperidyl)phthalazine-6-carbonitrile chloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile chloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile chloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-hydroxypiperidino)phthalazine-6-carbonitrile chloride Formula: C22H22Cl2N5O2- MolecularWeight: 459.34838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCCC(C4)O)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCCC(C4)O)Cl.[Cl-]

InChI

InChI=1S/C22H22ClN5O2.ClH/c1-30-20-7-5-15(10-19(20)23)12-25-21-18-9-14(11-24)4-6-17(18)22(27-26-21)28-8-2-3-16(29)13-28;/h4-7,9-10,16,29H,2-3,8,12-13H2,1H3,(H,25,26);1H/p-1