N-[bis(azanyl)methylidene]-7,8-dimethoxy-2-(2-methylphenyl)quinoline-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-7,8-dimethoxy-2-(2-methylphenyl)quinoline-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-7,8-dimethoxy-2-(o-tolyl)quinoline-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-7,8-dimethoxy-2-(2-methylphenyl)-4-quinolinecarboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-7,8-dimethoxy-2-(2-methylphenyl)quinoline-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-7,8-dimethoxy-2-(o-tolyl)cinchoninamide; mesylic acid Formula: C21H24N4O6S MolecularWeight: 460.50346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C=CC(=C3OC)OC)C(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C=CC(=C3OC)OC)C(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C20H20N4O3.CH4O3S/c1-11-6-4-5-7-12(11)15-10-14(19(25)24-20(21)22)13-8-9-16(26-2)18(27-3)17(13)23-15;1-5(2,3)4/h4-10H,1-3H3,(H4,21,22,24,25);1H3,(H,2,3,4)