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

Systemtic Name: N-[bis(azanyl)methylidene]-5-(4-cyclopropyloxybutoxy)-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: 5-[4-(cyclopropoxy)butoxy]-N-(diaminomethylene)-2-(o-tolyl)quinoline-4-carboxamide CAS Name: 5-(4-cyclopropyloxybutoxy)-N-(diaminomethylidene)-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 5-(4-cyclopropyloxybutoxy)-N-(diaminomethylidene)-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: 5-[4-(cyclopropoxy)butoxy]-N-(diaminomethylene)-2-(o-tolyl)cinchoninamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=CC=C3)OCCCCOC4CC4)C(=C2)C(=O)N=C(N)N

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=CC=C3)OCCCCOC4CC4)C(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C25H28N4O3/c1-16-7-2-3-8-18(16)21-15-19(24(30)29-25(26)27)23-20(28-21)9-6-10-22(23)32-14-5-4-13-31-17-11-12-17/h2-3,6-10,15,17H,4-5,11-14H2,1H3,(H4,26,27,29,30)