1-(4-methoxypyrimidin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(4-methoxypyrimidin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(4-methoxypyrimidin-2-yl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(4-methoxy-2-pyrimidinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-methoxypyrimidin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(4-methoxypyrimidin-2-yl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C16H18F3N5O MolecularWeight: 353.34223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=NC(=NC=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H18F3N5O/c1-25-14-5-6-20-15(22-14)24-8-2-7-23(9-10-24)13-4-3-12(11-21-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3