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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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