N-[bis(azanyl)methylidene]-2-[3-(2-methylpropoxymethoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-[3-(2-methylpropoxymethoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-2-[3-(isobutoxymethoxy)phenyl]quinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-2-[3-(2-methylpropoxymethoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-2-[3-(2-methylpropoxymethoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-2-[3-(isobutoxymethoxy)phenyl]cinchoninamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

Isomeric SMILES

CC(C)COCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C22H24N4O3/c1-14(2)12-28-13-29-16-7-5-6-15(10-16)20-11-18(21(27)26-22(23)24)17-8-3-4-9-19(17)25-20/h3-11,14H,12-13H2,1-2H3,(H4,23,24,26,27)