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

Systemtic Name: 2-[4-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(E)-2-cyano-3-(p-tolyl)prop-2-enoyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(E)-2-cyano-3-(4-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[(E)-2-cyano-3-(p-tolyl)acryloyl]piperazino]-6-fluoro-benzonitrile Formula: C22H19FN4O MolecularWeight: 374.410863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C22H19FN4O/c1-16-5-7-17(8-6-16)13-18(14-24)22(28)27-11-9-26(10-12-27)21-4-2-3-20(23)19(21)15-25/h2-8,13H,9-12H2,1H3/b18-13+