1-(4-fluorophenyl)-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxamide; methanesulfonic acid

Systemtic Name: 1-(4-fluorophenyl)-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxamide; methanesulfonic acid Openeye Name: 1-(4-fluorophenyl)-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide; methanesulfonic acid CAS Name: 1-(4-fluorophenyl)-4-oxo-7-pyridin-4-yl-3-quinolinecarboxamide; methanesulfonic acid IUPAC Name: 1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide; methanesulfonic acid Traditional Name: 1-(4-fluorophenyl)-4-keto-7-(4-pyridyl)quinoline-3-carboxamide; mesylic acid Formula: C22H18FN3O5S MolecularWeight: 455.458823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N)F

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N)F

InChI

InChI=1S/C21H14FN3O2.CH4O3S/c22-15-2-4-16(5-3-15)25-12-18(21(23)27)20(26)17-6-1-14(11-19(17)25)13-7-9-24-10-8-13;1-5(2,3)4/h1-12H,(H2,23,27);1H3,(H,2,3,4)