4-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methyl]pyridine-2-carboxamide; methanesulfonic acid

Systemtic Name: 4-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methyl]pyridine-2-carboxamide; methanesulfonic acid Openeye Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]pyridine-2-carboxamide; methanesulfonic acid CAS Name: 4-[[4-(4-chloroanilino)-1-phthalazinyl]methyl]-2-pyridinecarboxamide; methanesulfonic acid IUPAC Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]pyridine-2-carboxamide; methanesulfonic acid Traditional Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]picolinamide; mesylic acid Formula: C23H24ClN5O7S2 MolecularWeight: 582.04896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC(=NC=C4)C(=O)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC(=NC=C4)C(=O)N

InChI

InChI=1S/C21H16ClN5O.2CH4O3S/c22-14-5-7-15(8-6-14)25-21-17-4-2-1-3-16(17)18(26-27-21)11-13-9-10-24-19(12-13)20(23)28;2*1-5(2,3)4/h1-10,12H,11H2,(H2,23,28)(H,25,27);2*1H3,(H,2,3,4)