3-ethoxy-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethoxy]benzonitrile Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3/c1-2-27-20-13-16(14-23)3-8-19(20)28-15-21(26)25-11-9-24(10-12-25)18-6-4-17(22)5-7-18/h3-8,13H,2,9-12,15H2,1H3