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

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]pyridine-3-carboxamide Openeye Name: N-[(E)-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]pyridine-3-carboxamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide Traditional Name: N-[(E)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]nicotinamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CN=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrN3O3/c1-27-19-11-16(12-24-25-21(26)17-8-5-9-23-13-17)10-18(22)20(19)28-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,25,26)/b24-12+