azepan-1-yl-[1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-[4-(3-fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Formula: C22H24FN5O2 MolecularWeight: 409.456663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H24FN5O2/c1-15-17(21(29)27-11-5-3-4-6-12-27)14-25-28(15)22-24-10-9-19(26-22)16-7-8-20(30-2)18(23)13-16/h7-10,13-14H,3-6,11-12H2,1-2H3