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

Systemtic Name: 3-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: 3-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: 3-(3-bromophenyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: 3-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: 3-(3-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(=CC=C3)Br)C#N

Isomeric SMILES

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

InChI

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