7-(azepan-1-ylcarbonyl)-5-ethyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 7-(azepan-1-ylcarbonyl)-5-ethyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(azepane-1-carbonyl)-5-ethyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[1-azepanyl(oxo)methyl]-5-ethyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(azepane-1-carbonyl)-5-ethyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(azepane-1-carbonyl)-5-ethyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H24N4O2/c1-2-23-14-17(20(26)24-12-8-3-4-9-13-24)19-18(15-23)21(27)25(22-19)16-10-6-5-7-11-16/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3/p+1