2-[8-bromanyl-7-butoxy-6-(2-methylphenyl)-4-phenyl-phthalazin-1-yl]guanidine dihydrochloride

Systemtic Name: 2-[8-bromanyl-7-butoxy-6-(2-methylphenyl)-4-phenyl-phthalazin-1-yl]guanidine dihydrochloride Openeye Name: 2-[8-bromo-7-butoxy-6-(o-tolyl)-4-phenyl-phthalazin-1-yl]guanidine dihydrochloride CAS Name: 2-[8-bromo-7-butoxy-6-(2-methylphenyl)-4-phenyl-1-phthalazinyl]guanidine dihydrochloride IUPAC Name: 2-[8-bromo-7-butoxy-6-(2-methylphenyl)-4-phenylphthalazin-1-yl]guanidine dihydrochloride Traditional Name: 2-[8-bromo-7-butoxy-6-(o-tolyl)-4-phenyl-phthalazin-1-yl]guanidine dihydrochloride Formula: C26H28BrCl2N5O MolecularWeight: 577.34342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1Br)C(=NN=C2C3=CC=CC=C3)N=C(N)N)C4=CC=CC=C4C.Cl.Cl

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1Br)C(=NN=C2C3=CC=CC=C3)N=C(N)N)C4=CC=CC=C4C.Cl.Cl

InChI

InChI=1S/C26H26BrN5O.2ClH/c1-3-4-14-33-24-19(18-13-9-8-10-16(18)2)15-20-21(22(24)27)25(30-26(28)29)32-31-23(20)17-11-6-5-7-12-17;;/h5-13,15H,3-4,14H2,1-2H3,(H4,28,29,30,32);2*1H