2-(3-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: 2-(3-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: 2-(3-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile CAS Name: 2-(3-bromophenyl)-3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: 2-(3-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: 2-(3-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidino-phenyl)acrylonitrile Formula: C21H21BrN2O2 MolecularWeight: 413.30764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C2=CC(=CC=C2)Br)OC)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C2=CC(=CC=C2)Br)OC)N3CCCC3

InChI

InChI=1S/C21H21BrN2O2/c1-25-20-13-19(24-8-3-4-9-24)21(26-2)12-16(20)10-17(14-23)15-6-5-7-18(22)11-15/h5-7,10-13H,3-4,8-9H2,1-2H3