1-[(3-fluoranylpyridin-4-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-[(3-fluoranylpyridin-4-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-pyridyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[(3-fluoro-4-pyridinyl)methyl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[(3-fluoropyridin-4-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-pyridyl)methyl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C15H18FN5 MolecularWeight: 287.335323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=CC=N2)CC3=C(C=NC=C3)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC=CC=N2)CC3=C(C=NC=C3)F

InChI

InChI=1S/C15H18FN5/c16-14-11-17-6-3-13(14)12-20-7-2-8-21(10-9-20)15-18-4-1-5-19-15/h1,3-6,11H,2,7-10,12H2