2-(3-bromophenyl)-3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: 2-(3-bromophenyl)-3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: 2-(3-bromophenyl)-3-(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile CAS Name: 2-(3-bromophenyl)-3-[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: 2-(3-bromophenyl)-3-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: 2-(3-bromophenyl)-3-(5-fluoro-2-methyl-4-pyrrolidino-phenyl)acrylonitrile Formula: C20H18BrFN2 MolecularWeight: 385.272723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C2=CC(=CC=C2)Br)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C#N)C2=CC(=CC=C2)Br)F)N3CCCC3

InChI

InChI=1S/C20H18BrFN2/c1-14-9-20(24-7-2-3-8-24)19(22)12-16(14)10-17(13-23)15-5-4-6-18(21)11-15/h4-6,9-12H,2-3,7-8H2,1H3