5-nitro-8-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinoline

Systemtic Name: 5-nitro-8-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinoline Openeye Name: 5-nitro-8-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinoline CAS Name: 5-nitro-8-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]quinoline IUPAC Name: 5-nitro-8-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinoline Traditional Name: 5-nitro-8-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinoline Formula: C20H18F3N5O2 MolecularWeight: 417.38443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)14-4-7-18(25-13-14)27-10-2-9-26(11-12-27)17-6-5-16(28(29)30)15-3-1-8-24-19(15)17/h1,3-8,13H,2,9-12H2