N-(3-fluoranyl-4-methyl-phenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[6-(1-piperidyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(6-piperidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C21H27FN6O MolecularWeight: 398.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)F

InChI

InChI=1S/C21H27FN6O/c1-16-5-6-17(13-18(16)22)25-21(29)28-11-9-27(10-12-28)20-14-19(23-15-24-20)26-7-3-2-4-8-26/h5-6,13-15H,2-4,7-12H2,1H3,(H,25,29)