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

Systemtic Name: 2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethoxy]benzonitrile Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3C#N)F

InChI

InChI=1S/C21H22FN3O3/c1-27-20-7-6-16(12-18(20)22)14-24-8-10-25(11-9-24)21(26)15-28-19-5-3-2-4-17(19)13-23/h2-7,12H,8-11,14-15H2,1H3