N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C23H24FN7O MolecularWeight: 433.481363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H24FN7O/c1-16-17(2)31(19-6-3-5-18(24)13-19)22(20(16)14-25)28-21(32)15-29-9-11-30(12-10-29)23-26-7-4-8-27-23/h3-8,13H,9-12,15H2,1-2H3,(H,28,32)