ethyl 3-ethyl-6-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-6-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(3-fluorophenyl)-4-[(4-methyl-1-piperidyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(3-fluorophenyl)-4-[(4-methyl-1-piperidinyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-(3-fluorophenyl)-2-keto-4-[(4-methylpiperidino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H30FN3O3 MolecularWeight: 403.490303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)F)C(=O)OCC)CN3CCC(CC3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)F)C(=O)OCC)CN3CCC(CC3)C

InChI

InChI=1S/C22H30FN3O3/c1-4-26-18(14-25-11-9-15(3)10-12-25)19(21(27)29-5-2)20(24-22(26)28)16-7-6-8-17(23)13-16/h6-8,13,15,20H,4-5,9-12,14H2,1-3H3,(H,24,28)