5-(3-bromophenyl)-5-[7-(cyanomethoxy)indol-1-yl]pentanenitrile

Systemtic Name: 5-(3-bromophenyl)-5-[7-(cyanomethoxy)indol-1-yl]pentanenitrile Openeye Name: 5-(3-bromophenyl)-5-[7-(cyanomethoxy)indol-1-yl]pentanenitrile CAS Name: 5-(3-bromophenyl)-5-[7-(cyanomethoxy)-1-indolyl]pentanenitrile IUPAC Name: 5-(3-bromophenyl)-5-[7-(cyanomethoxy)indol-1-yl]pentanenitrile Traditional Name: 5-(3-bromophenyl)-5-[7-(cyanomethoxy)indol-1-yl]valeronitrile Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC#N)N(C=C2)C(CCCC#N)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC2=C(C(=C1)OCC#N)N(C=C2)C(CCCC#N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrN3O/c22-18-7-3-6-17(15-18)19(8-1-2-11-23)25-13-10-16-5-4-9-20(21(16)25)26-14-12-24/h3-7,9-10,13,15,19H,1-2,8,14H2