N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine dihydrochloride

Systemtic Name: N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine dihydrochloride Openeye Name: N-(4-tert-butylphenyl)-4-(4-pyridylmethyl)phthalazin-1-amine dihydrochloride CAS Name: N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine dihydrochloride IUPAC Name: N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine dihydrochloride Traditional Name: (4-tert-butylphenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine dihydrochloride Formula: C24H26Cl2N4 MolecularWeight: 441.39604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C24H24N4.2ClH/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17;;/h4-15H,16H2,1-3H3,(H,26,28);2*1H