5-(3-bromophenyl)-5-(7-phenylmethoxyindol-1-yl)pentanenitrile

Systemtic Name: 5-(3-bromophenyl)-5-(7-phenylmethoxyindol-1-yl)pentanenitrile Openeye Name: 5-(7-benzyloxyindol-1-yl)-5-(3-bromophenyl)pentanenitrile CAS Name: 5-(3-bromophenyl)-5-(7-phenylmethoxy-1-indolyl)pentanenitrile IUPAC Name: 5-(3-bromophenyl)-5-(7-phenylmethoxyindol-1-yl)pentanenitrile Traditional Name: 5-(7-benzoxyindol-1-yl)-5-(3-bromophenyl)valeronitrile Formula: C26H23BrN2O MolecularWeight: 459.37762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2N(C=C3)C(CCCC#N)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2N(C=C3)C(CCCC#N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H23BrN2O/c27-23-12-6-11-22(18-23)24(13-4-5-16-28)29-17-15-21-10-7-14-25(26(21)29)30-19-20-8-2-1-3-9-20/h1-3,6-12,14-15,17-18,24H,4-5,13,19H2