4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]benzenecarbonitrile

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]benzenecarbonitrile Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]benzonitrile CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]benzonitrile IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]benzonitrile Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]benzonitrile Formula: C23H21BrN2O MolecularWeight: 421.32964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O/c1-2-26(22-11-8-18(15-25)9-12-22)16-20-14-21(24)10-13-23(20)27-17-19-6-4-3-5-7-19/h3-14H,2,16-17H2,1H3