N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[3-(6-ethyl-4-keto-1H-pyrimidin-2-yl)phenyl]-1-(4-fluorobenzoyl)isonipecotamide Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O3/c1-2-20-15-22(31)29-23(27-20)18-4-3-5-21(14-18)28-24(32)16-10-12-30(13-11-16)25(33)17-6-8-19(26)9-7-17/h3-9,14-16H,2,10-13H2,1H3,(H,28,32)(H,27,29,31)