2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinoxaline

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinoxaline Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinoxaline CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]quinoxaline IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinoxaline Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinoxaline Formula: C19H17ClF3N5 MolecularWeight: 407.81999

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C19H17ClF3N5/c20-14-10-13(19(21,22)23)11-25-18(14)28-7-3-6-27(8-9-28)17-12-24-15-4-1-2-5-16(15)26-17/h1-2,4-5,10-12H,3,6-9H2