butyl 3-(4-fluorophenyl)-2-methyl-2-(pyridin-3-ylcarbonylamino)piperazine-1-carboxylate

Systemtic Name: butyl 3-(4-fluorophenyl)-2-methyl-2-(pyridin-3-ylcarbonylamino)piperazine-1-carboxylate Openeye Name: butyl 3-(4-fluorophenyl)-2-methyl-2-(pyridine-3-carbonylamino)piperazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-2-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 3-(4-fluorophenyl)-2-methyl-2-(pyridine-3-carbonylamino)piperazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-methyl-2-nicotinamido-piperazine-1-carboxylic acid butyl ester Formula: C22H27FN4O3 MolecularWeight: 414.473183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCNC(C1(C)NC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)N1CCNC(C1(C)NC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN4O3/c1-3-4-14-30-21(29)27-13-12-25-19(16-7-9-18(23)10-8-16)22(27,2)26-20(28)17-6-5-11-24-15-17/h5-11,15,19,25H,3-4,12-14H2,1-2H3,(H,26,28)