7-(4-phenethylpiperazin-1-yl)carbonyl-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 7-(4-phenethylpiperazin-1-yl)carbonyl-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 5-isopropyl-7-(4-phenethylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[oxo-(4-phenethyl-1-piperazinyl)methyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(4-phenethylpiperazine-1-carbonyl)-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 5-isopropyl-7-(4-phenethylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C28H32N5O2+ MolecularWeight: 470.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O2/c1-21(2)32-19-24(26-25(20-32)28(35)33(29-26)23-11-7-4-8-12-23)27(34)31-17-15-30(16-18-31)14-13-22-9-5-3-6-10-22/h3-12,19-21H,13-18H2,1-2H3/p+1