4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-methyl-3-pyrrolidin-1-yl-but-1-ynyl)phthalazine-6-carbonitrile dihydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-methyl-3-pyrrolidin-1-yl-but-1-ynyl)phthalazine-6-carbonitrile dihydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-methyl-3-pyrrolidin-1-yl-but-1-ynyl)phthalazine-6-carbonitrile dihydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-methyl-3-(1-pyrrolidinyl)but-1-ynyl]-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-methyl-3-pyrrolidin-1-ylbut-1-ynyl)phthalazine-6-carbonitrile dihydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-methyl-3-pyrrolidino-but-1-ynyl)phthalazine-6-carbonitrile dihydrochloride Formula: C26H28Cl3N5O MolecularWeight: 532.89242

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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)N4CCCC4.Cl.Cl

Isomeric SMILES

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)C#N)N4CCCC4.Cl.Cl

InChI

InChI=1S/C26H26ClN5O.2ClH/c1-26(2,32-12-4-5-13-32)11-10-23-20-8-6-18(16-28)14-21(20)25(31-30-23)29-17-19-7-9-24(33-3)22(27)15-19;;/h6-9,14-15H,4-5,12-13,17H2,1-3H3,(H,29,31);2*1H