N-[1-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[(E)-2-cyano-3-(p-tolyl)prop-2-enoyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[(E)-2-cyano-3-(4-methylphenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[(E)-2-cyano-3-(p-tolyl)acryloyl]-4-piperidyl]-4-fluoro-benzamide Formula: C23H22FN3O2 MolecularWeight: 391.438083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FN3O2/c1-16-2-4-17(5-3-16)14-19(15-25)23(29)27-12-10-21(11-13-27)26-22(28)18-6-8-20(24)9-7-18/h2-9,14,21H,10-13H2,1H3,(H,26,28)/b19-14+