5-bromanyl-N-[(4-cyano-2-methoxy-phenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide

Systemtic Name: 5-bromanyl-N-[(4-cyano-2-methoxy-phenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide Openeye Name: 5-bromo-N-[(4-cyano-2-methoxy-phenyl)methoxy]-2-(4-pyridylmethylamino)benzamide CAS Name: 5-bromo-N-[(4-cyano-2-methoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide IUPAC Name: 5-bromo-N-[(4-cyano-2-methoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide Traditional Name: 5-bromo-N-(4-cyano-2-methoxy-benzyl)oxy-2-(4-pyridylmethylamino)benzamide Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)CONC(=O)C2=C(C=CC(=C2)Br)NCC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)CONC(=O)C2=C(C=CC(=C2)Br)NCC3=CC=NC=C3

InChI

InChI=1S/C22H19BrN4O3/c1-29-21-10-16(12-24)2-3-17(21)14-30-27-22(28)19-11-18(23)4-5-20(19)26-13-15-6-8-25-9-7-15/h2-11,26H,13-14H2,1H3,(H,27,28)