[[6-[2,3-bis(fluoranyl)phenyl]-1-pyridin-4-yl-azepan-3-yl]-oxidanylidene-azaniumyl]methanoate

Systemtic Name: [[6-[2,3-bis(fluoranyl)phenyl]-1-pyridin-4-yl-azepan-3-yl]-oxidanylidene-azaniumyl]methanoate Openeye Name: [[6-(2,3-difluorophenyl)-1-(4-pyridyl)azepan-3-yl]-oxo-ammonio]formate CAS Name: [[6-(2,3-difluorophenyl)-1-pyridin-4-yl-3-azepanyl]-oxoammonio]formate IUPAC Name: [[6-(2,3-difluorophenyl)-1-pyridin-4-ylazepan-3-yl]-oxoazaniumyl]formate Traditional Name: [[6-(2,3-difluorophenyl)-1-(4-pyridyl)azepan-3-yl]-keto-ammonio]formate Formula: C18H17F2N3O3 MolecularWeight: 361.342686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(CC1C2=C(C(=CC=C2)F)F)C3=CC=NC=C3)[N+](=O)C(=O)[O-]

Isomeric SMILES

C1CC(CN(CC1C2=C(C(=CC=C2)F)F)C3=CC=NC=C3)[N+](=O)C(=O)[O-]

InChI

InChI=1S/C18H17F2N3O3/c19-16-3-1-2-15(17(16)20)12-4-5-14(23(26)18(24)25)11-22(10-12)13-6-8-21-9-7-13/h1-3,6-9,12,14H,4-5,10-11H2