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

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridine-3-carbonitrile Openeye Name: 6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carbonitrile CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinonitrile Formula: C22H20BrN3O MolecularWeight: 422.3177

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O/c1-2-26(22-11-8-18(13-24)14-25-22)15-19-12-20(23)9-10-21(19)27-16-17-6-4-3-5-7-17/h3-12,14H,2,15-16H2,1H3