N-[4-(3-ethoxyphenyl)-6-pyrrolidin-1-yl-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-(3-ethoxyphenyl)-6-pyrrolidin-1-yl-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-(3-ethoxyphenyl)-6-pyrrolidin-1-yl-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[4-(3-ethoxyphenyl)-6-(1-pyrrolidinyl)-5-pyrimidinyl]-4-fluorobenzamide IUPAC Name: N-[4-(3-ethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-5-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-(4-m-phenetyl-6-pyrrolidino-pyrimidin-5-yl)benzamide Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C(=NC=N2)N3CCCC3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C(=NC=N2)N3CCCC3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2/c1-2-30-19-7-5-6-17(14-19)20-21(22(26-15-25-20)28-12-3-4-13-28)27-23(29)16-8-10-18(24)11-9-16/h5-11,14-15H,2-4,12-13H2,1H3,(H,27,29)