1-(3-azanyl-3-methyl-butyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride

Systemtic Name: 1-(3-azanyl-3-methyl-butyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride Openeye Name: 1-(3-amino-3-methyl-butyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride CAS Name: 1-(3-amino-3-methylbutyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 1-(3-amino-3-methylbutyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile dihydrochloride Traditional Name: 1-(3-amino-3-methyl-butyl)-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile dihydrochloride Formula: C22H26Cl3N5O MolecularWeight: 482.83374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=NN=C(C2=C1C=CC(=C2)C#N)NCC3=CC(=C(C=C3)OC)Cl)N.Cl.Cl

Isomeric SMILES

CC(C)(CCC1=NN=C(C2=C1C=CC(=C2)C#N)NCC3=CC(=C(C=C3)OC)Cl)N.Cl.Cl

InChI

InChI=1S/C22H24ClN5O.2ClH/c1-22(2,25)9-8-19-16-6-4-14(12-24)10-17(16)21(28-27-19)26-13-15-5-7-20(29-3)18(23)11-15;;/h4-7,10-11H,8-9,13,25H2,1-3H3,(H,26,28);2*1H