2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-(2-chloranylquinolin-3-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-(2-chloranylquinolin-3-yl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(E)-(2-chloro-3-quinolyl)methyleneamino]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-chloro-3-quinolinyl)methylideneamino]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(E)-(2-chloro-3-quinolyl)methyleneamino]acetamide Formula: C22H21BrClN3O2 MolecularWeight: 474.77804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)N/N=C/C2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C22H21BrClN3O2/c1-13(2)17-10-18(23)14(3)8-20(17)29-12-21(28)27-25-11-16-9-15-6-4-5-7-19(15)26-22(16)24/h4-11,13H,12H2,1-3H3,(H,27,28)/b25-11+