ethyl 5-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-2,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-2,6-dimethyl-pyridine-3-carboxylate Openeye Name: ethyl 5-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-2,6-dimethyl-pyridine-3-carboxylate CAS Name: 5-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-2,6-dimethyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-2,6-dimethylpyridine-3-carboxylate Traditional Name: 5-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-2,6-dimethyl-nicotinic acid ethyl ester Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O3/c1-4-29-20(27)18-13-19(15(3)23-14(18)2)24-21(28)26-11-9-25(10-12-26)17-7-5-16(22)6-8-17/h5-8,13H,4,9-12H2,1-3H3,(H,24,28)