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

Systemtic Name: 3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile Openeye Name: 3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile CAS Name: 3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]-2-(2-fluorophenyl)-2-propenenitrile IUPAC Name: 3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(2-fluorophenyl)prop-2-enenitrile Traditional Name: 3-(2,5-dimethoxy-4-pyrrolidino-phenyl)-2-(2-fluorophenyl)acrylonitrile Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C2=CC=CC=C2F)OC)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C2=CC=CC=C2F)OC)N3CCCC3

InChI

InChI=1S/C21H21FN2O2/c1-25-20-13-19(24-9-5-6-10-24)21(26-2)12-15(20)11-16(14-23)17-7-3-4-8-18(17)22/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3