N-[(E)-(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylideneamino]quinoline-2-carboxamide

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylideneamino]quinoline-2-carboxamide Openeye Name: N-[(E)-(3-bromo-5-methoxy-4-propoxy-phenyl)methyleneamino]quinoline-2-carboxamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]quinoline-2-carboxamide Traditional Name: N-[(E)-(3-bromo-5-methoxy-4-propoxy-benzylidene)amino]quinaldamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=NNC(=O)C2=NC3=CC=CC=C3C=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=N/NC(=O)C2=NC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C21H20BrN3O3/c1-3-10-28-20-16(22)11-14(12-19(20)27-2)13-23-25-21(26)18-9-8-15-6-4-5-7-17(15)24-18/h4-9,11-13H,3,10H2,1-2H3,(H,25,26)/b23-13+