(E)-3-(4-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-bromophenyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(4-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C20H17BrFN3O MolecularWeight: 414.270883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C(=CC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)/C(=C/C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C20H17BrFN3O/c21-17-7-5-15(6-8-17)13-16(14-23)20(26)25-11-9-24(10-12-25)19-4-2-1-3-18(19)22/h1-8,13H,9-12H2/b16-13+