N-[bis(azanyl)methylidene]-8-(1-methoxyethoxy)-2-phenyl-quinoline-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-8-(1-methoxyethoxy)-2-phenyl-quinoline-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-8-(1-methoxyethoxy)-2-phenyl-quinoline-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-8-(1-methoxyethoxy)-2-phenyl-4-quinolinecarboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-8-(1-methoxyethoxy)-2-phenylquinoline-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-8-(1-methoxyethoxy)-2-phenyl-cinchoninamide; mesylic acid Formula: C21H24N4O6S MolecularWeight: 460.50346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC1=CC=CC2=C1N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CC(OC)OC1=CC=CC2=C1N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C20H20N4O3.CH4O3S/c1-12(26-2)27-17-10-6-9-14-15(19(25)24-20(21)22)11-16(23-18(14)17)13-7-4-3-5-8-13;1-5(2,3)4/h3-12H,1-2H3,(H4,21,22,24,25);1H3,(H,2,3,4)