5-bromanyl-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyridine-3-carboxamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-5-bromo-nicotinamide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=CN=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=CN=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O3/c1-26-20-9-16(11-24-21(25)17-10-18(22)13-23-12-17)7-8-19(20)27-14-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3,(H,24,25)