2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[3-(2,4-dichlorophenyl)-1-oxopropyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazino]-6-fluoro-benzonitrile Formula: C20H18Cl2FN3O MolecularWeight: 406.280823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)CCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)CCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2FN3O/c21-15-6-4-14(17(22)12-15)5-7-20(27)26-10-8-25(9-11-26)19-3-1-2-18(23)16(19)13-24/h1-4,6,12H,5,7-11H2