2-[1-bromanyl-6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-indol-2-yl]naphthalen-2-yl]oxyethanenitrile

Systemtic Name: 2-[1-bromanyl-6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-indol-2-yl]naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[1-bromo-6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-indol-2-yl]-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[1-bromo-6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-2-indolyl]-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[1-bromo-6-[1-[(4-tert-butylphenyl)methyl]-3-pentylindol-2-yl]naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[6-[3-amyl-1-(4-tert-butylbenzyl)indol-2-yl]-1-bromo-2-naphthoxy]acetonitrile Formula: C36H37BrN2O MolecularWeight: 593.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)C(C)(C)C)C4=CC5=C(C=C4)C(=C(C=C5)OCC#N)Br

Isomeric SMILES

CCCCCC1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)C(C)(C)C)C4=CC5=C(C=C4)C(=C(C=C5)OCC#N)Br

InChI

InChI=1S/C36H37BrN2O/c1-5-6-7-11-31-30-10-8-9-12-32(30)39(24-25-13-17-28(18-14-25)36(2,3)4)35(31)27-15-19-29-26(23-27)16-20-33(34(29)37)40-22-21-38/h8-10,12-20,23H,5-7,11,22,24H2,1-4H3