1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-methoxy-2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(4-methoxypyrimidin-2-yl)-1,4-diazepane Formula: C16H17ClF3N5O MolecularWeight: 387.78729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC1=NC(=NC=C1)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H17ClF3N5O/c1-26-13-3-4-21-15(23-13)25-6-2-5-24(7-8-25)14-12(17)9-11(10-22-14)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3