[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(4-oxo-3H-phthalazin-1-yl)methyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-[(4-oxo-3H-phthalazin-1-yl)methyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-[(4-oxo-3H-phthalazin-1-yl)methyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(4-keto-3H-phthalazin-1-yl)methyl]ammonium Formula: C27H26N5O+ MolecularWeight: 436.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C27H25N5O/c1-18-12-13-19(2)25(14-18)32-17-21(26(31-32)20-8-4-3-5-9-20)15-28-16-24-22-10-6-7-11-23(22)27(33)30-29-24/h3-14,17,28H,15-16H2,1-2H3,(H,30,33)/p+1