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

Systemtic Name: 7-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-[4-(2-fluorobenzyl)piperazine-1-carbonyl]-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C27H29FN5O2+ MolecularWeight: 474.549863

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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)CC5=CC=CC=C5F

Isomeric SMILES

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5F

InChI

InChI=1S/C27H28FN5O2/c1-19(2)32-17-22(25-23(18-32)27(35)33(29-25)21-9-4-3-5-10-21)26(34)31-14-12-30(13-15-31)16-20-8-6-7-11-24(20)28/h3-11,17-19H,12-16H2,1-2H3/p+1