2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(E)-3-(2,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[(E)-3-(2,4-dimethoxyphenyl)acryloyl]piperazino]-6-fluoro-benzonitrile Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC

InChI

InChI=1S/C22H22FN3O3/c1-28-17-8-6-16(21(14-17)29-2)7-9-22(27)26-12-10-25(11-13-26)20-5-3-4-19(23)18(20)15-24/h3-9,14H,10-13H2,1-2H3/b9-7+