1-[(3-iodanyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 1-[(3-iodanyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride Openeye Name: 1-[(3-iodo-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride CAS Name: 1-[(3-iodo-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 1-[(3-iodo-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile hydrochloride Traditional Name: 1-[(3-iodo-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile hydrochloride Formula: C17H14ClIN4O MolecularWeight: 452.67673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=CN=N2)C#N)I.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=CN=N2)C#N)I.Cl

InChI

InChI=1S/C17H13IN4O.ClH/c1-23-16-5-3-12(7-15(16)18)9-20-17-14-4-2-11(8-19)6-13(14)10-21-22-17;/h2-7,10H,9H2,1H3,(H,20,22);1H