quinoxalin-6-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: quinoxalin-6-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: quinoxalin-6-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone CAS Name: 6-quinoxalinyl-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: quinoxalin-6-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: quinoxalin-6-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Formula: C19H17F3N6O MolecularWeight: 402.37309

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)C4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)C4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C19H17F3N6O/c20-19(21,22)16-4-5-25-18(26-16)28-9-1-8-27(10-11-28)17(29)13-2-3-14-15(12-13)24-7-6-23-14/h2-7,12H,1,8-11H2