6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxamide

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxamide Openeye Name: 6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carboxamide CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinecarboxamide IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carboxamide Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinamide Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H22BrN3O2/c1-2-26(21-11-8-17(13-25-21)22(24)27)14-18-12-19(23)9-10-20(18)28-15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H2,24,27)