methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H23N6O2+ MolecularWeight: 403.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2/c1-23-21(29)20-18-10-6-7-11-19(18)22(30)28(25-20)15-26(2)13-16-12-24-27(14-16)17-8-4-3-5-9-17/h3-12,14H,13,15H2,1-2H3,(H,23,29)/p+1