N-[bis(azanyl)methylidene]-8-(5-hexoxypentoxy)-2-(2-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-8-(5-hexoxypentoxy)-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-8-(5-hexoxypentoxy)-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-8-(5-hexoxypentoxy)-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-8-(5-hexoxypentoxy)-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-8-(5-hexoxypentoxy)-2-(o-tolyl)cinchoninamide Formula: C29H38N4O3 MolecularWeight: 490.63702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCCOC1=CC=CC2=C1N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCOCCCCCOC1=CC=CC2=C1N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3C

InChI

InChI=1S/C29H38N4O3/c1-3-4-5-9-17-35-18-10-6-11-19-36-26-16-12-15-23-24(28(34)33-29(30)31)20-25(32-27(23)26)22-14-8-7-13-21(22)2/h7-8,12-16,20H,3-6,9-11,17-19H2,1-2H3,(H4,30,31,33,34)