N-[1-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)prop-2-enoyl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)acryloyl]-4-piperidyl]-4-fluoro-benzamide Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FN5O2/c1-15-17(12-21(14-26)28(15)2)11-18(13-25)23(31)29-9-7-20(8-10-29)27-22(30)16-3-5-19(24)6-4-16/h3-6,11-12,20H,7-10H2,1-2H3,(H,27,30)/b18-11+