4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-methyl-3-oxidanyl-but-1-ynyl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-methyl-3-oxidanyl-but-1-ynyl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-hydroxy-3-methyl-but-1-ynyl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxy-3-methylbut-1-ynyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxy-3-methylbut-1-ynyl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-hydroxy-3-methyl-but-1-ynyl)phthalazine-6-carbonitrile hydrochloride Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)C#N)O.Cl

Isomeric SMILES

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)C#N)O.Cl

InChI

InChI=1S/C22H19ClN4O2.ClH/c1-22(2,28)9-8-19-16-6-4-14(12-24)10-17(16)21(27-26-19)25-13-15-5-7-20(29-3)18(23)11-15;/h4-7,10-11,28H,13H2,1-3H3,(H,25,27);1H