1-[6-(3-chloranyl-4-fluoranyl-phenoxy)pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-[6-(3-chloranyl-4-fluoranyl-phenoxy)pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-[6-(3-chloro-4-fluoro-phenoxy)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[6-(3-chloro-4-fluorophenoxy)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-[6-(3-chloro-4-fluoro-phenoxy)pyrimidin-4-yl]-1,4-diazepane Formula: C15H16ClFN4O MolecularWeight: 322.765143

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=NC=N2)OC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CNCCN(C1)C2=CC(=NC=N2)OC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H16ClFN4O/c16-12-8-11(2-3-13(12)17)22-15-9-14(19-10-20-15)21-6-1-4-18-5-7-21/h2-3,8-10,18H,1,4-7H2