4-[[1-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)benzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[1-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)benzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[1-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzimidazol-2-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[1-methyl-5-(4-oxo-3H-phthalazin-1-yl)-2-benzimidazolyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[1-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzimidazol-2-yl]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[5-(4-keto-3H-phthalazin-1-yl)-1-methyl-benzimidazol-2-yl]methyl]benzamidine hydrochloride Formula: C24H21ClN6O MolecularWeight: 444.91614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N=C1CC5=CC=C(C=C5)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N=C1CC5=CC=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C24H20N6O.ClH/c1-30-20-11-10-16(22-17-4-2-3-5-18(17)24(31)29-28-22)13-19(20)27-21(30)12-14-6-8-15(9-7-14)23(25)26;/h2-11,13H,12H2,1H3,(H3,25,26)(H,29,31);1H