2-[4-[6-(3-chloranyl-4-fluoranyl-phenyl)-2-morpholin-4-yl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-[6-(3-chloranyl-4-fluoranyl-phenyl)-2-morpholin-4-yl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-[6-(3-chloro-4-fluoro-phenyl)-2-morpholino-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-[6-(3-chloro-4-fluorophenyl)-2-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-[6-(3-chloro-4-fluoro-phenyl)-2-morpholino-pyrimidin-4-yl]piperazino]nicotinamide Formula: C24H25ClFN7O2 MolecularWeight: 497.952403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC(=C2)C3=CC(=C(C=C3)F)Cl)N4CCOCC4)C5=C(C=CC=N5)C(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC(=NC(=C2)C3=CC(=C(C=C3)F)Cl)N4CCOCC4)C5=C(C=CC=N5)C(=O)N

InChI

InChI=1S/C24H25ClFN7O2/c25-18-14-16(3-4-19(18)26)20-15-21(30-24(29-20)33-10-12-35-13-11-33)31-6-8-32(9-7-31)23-17(22(27)34)2-1-5-28-23/h1-5,14-15H,6-13H2,(H2,27,34)