1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C18H18FN7 MolecularWeight: 351.380823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=CN=N2)C3=CC(=CC=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=CN=N2)C3=CC(=CC=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C18H18FN7/c19-15-5-1-4-14(12-15)16-13-22-24-18(23-16)26-9-3-8-25(10-11-26)17-20-6-2-7-21-17/h1-2,4-7,12-13H,3,8-11H2