2-(4-fluorophenyl)-2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-(4-fluorophenyl)-2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-(4-fluorophenyl)-2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetonitrile CAS Name: 2-(4-fluorophenyl)-2-[4-[oxo-[3-(phenoxymethyl)-2-furanyl]methyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-(4-fluorophenyl)-2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetonitrile Traditional Name: 2-(4-fluorophenyl)-2-[4-[3-(phenoxymethyl)-2-furoyl]piperazino]acetonitrile Formula: C24H22FN3O3 MolecularWeight: 419.448183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

InChI

InChI=1S/C24H22FN3O3/c25-20-8-6-18(7-9-20)22(16-26)27-11-13-28(14-12-27)24(29)23-19(10-15-30-23)17-31-21-4-2-1-3-5-21/h1-10,15,22H,11-14,17H2