N-[bis(azanyl)methylidene]-2-(2-methylphenyl)-6-(3-pentoxypropoxy)quinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-(2-methylphenyl)-6-(3-pentoxypropoxy)quinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-2-(o-tolyl)-6-(3-pentoxypropoxy)quinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-2-(2-methylphenyl)-6-(3-pentoxypropoxy)-4-quinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-2-(2-methylphenyl)-6-(3-pentoxypropoxy)quinoline-4-carboxamide Traditional Name: 6-(3-amoxypropoxy)-N-(diaminomethylene)-2-(o-tolyl)cinchoninamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCCCOC1=CC2=C(C=C1)N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3C

Isomeric SMILES

CCCCCOCCCOC1=CC2=C(C=C1)N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3C

InChI

InChI=1S/C26H32N4O3/c1-3-4-7-13-32-14-8-15-33-19-11-12-23-21(16-19)22(25(31)30-26(27)28)17-24(29-23)20-10-6-5-9-18(20)2/h5-6,9-12,16-17H,3-4,7-8,13-15H2,1-2H3,(H4,27,28,30,31)