6-(3-bromanylphenoxy)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-(3-bromanylphenoxy)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridine-3-carboxamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-6-(3-bromophenoxy)pyridine-3-carboxamide CAS Name: 6-(3-bromophenoxy)-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-6-(3-bromophenoxy)pyridine-3-carboxamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-6-(3-bromophenoxy)nicotinamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrN3O3/c22-17-7-4-8-18(11-17)28-20-10-9-16(13-24-20)21(27)25-14-19(26)23-12-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,23,26)(H,25,27)