ethyl 5-cyano-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(2-fluorophenyl)piperazino]-2-phenyl-nicotinic acid ethyl ester Formula: C25H23FN4O2 MolecularWeight: 430.474123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C25H23FN4O2/c1-2-32-25(31)20-16-19(17-27)24(28-23(20)18-8-4-3-5-9-18)30-14-12-29(13-15-30)22-11-7-6-10-21(22)26/h3-11,16H,2,12-15H2,1H3