3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethoxy]benzonitrile Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)C#N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)C#N)F

InChI

InChI=1S/C21H20FN3O3/c1-15(26)17-5-6-20(19(22)12-17)24-7-9-25(10-8-24)21(27)14-28-18-4-2-3-16(11-18)13-23/h2-6,11-12H,7-10,14H2,1H3