benzenecarbonitrile; N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine

Systemtic Name: benzenecarbonitrile; N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine Openeye Name: benzonitrile; N-[(2-benzyloxy-5-bromo-phenyl)methyl]ethanamine CAS Name: benzonitrile; N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine IUPAC Name: benzonitrile; N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine Traditional Name: benzonitrile; (2-benzoxy-5-bromo-benzyl)-ethyl-amine Formula: C23H23BrN2O MolecularWeight: 423.34552

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=CC=C(C=C1)C#N

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H18BrNO.C7H5N/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13;8-6-7-4-2-1-3-5-7/h3-10,18H,2,11-12H2,1H3;1-5H