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

Systemtic Name: 7-(azepan-1-ylcarbonyl)-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(azepane-1-carbonyl)-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[1-azepanyl(oxo)methyl]-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(azepane-1-carbonyl)-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(azepane-1-carbonyl)-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-22-13-16(19(25)23-11-7-2-3-8-12-23)18-17(14-22)20(26)24(21-18)15-9-5-4-6-10-15/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3/p+1