(2S)-2-(4-fluorophenyl)-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]piperazin-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]-1-piperazinyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-[4-[(E)-3-(5-methyl-2-furyl)acryloyl]piperazino]acetonitrile Formula: C20H20FN3O2 MolecularWeight: 353.390103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2/c1-15-2-7-18(26-15)8-9-20(25)24-12-10-23(11-13-24)19(14-22)16-3-5-17(21)6-4-16/h2-9,19H,10-13H2,1H3/b9-8+/t19-/m1/s1