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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-oxidanylprop-1-ynyl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-hydroxyprop-1-ynyl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxyprop-1-ynyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxyprop-1-ynyl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-hydroxyprop-1-ynyl)phthalazine-6-carbonitrile hydrochloride Formula: C20H16Cl2N4O2 MolecularWeight: 415.27264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CCO)C#N)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CCO)C#N)Cl.Cl

InChI

InChI=1S/C20H15ClN4O2.ClH/c1-27-19-7-5-14(10-17(19)21)12-23-20-16-9-13(11-22)4-6-15(16)18(24-25-20)3-2-8-26;/h4-7,9-10,26H,8,12H2,1H3,(H,23,25);1H