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

Systemtic Name: 7-(4-phenacylpiperazin-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-phenacylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[oxo-(4-phenacyl-1-piperazinyl)methyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(4-phenacylpiperazine-1-carbonyl)-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 5-isopropyl-7-(4-phenacylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C28H30N5O3+ MolecularWeight: 484.5695

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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)CC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3/c1-20(2)32-17-23(26-24(18-32)28(36)33(29-26)22-11-7-4-8-12-22)27(35)31-15-13-30(14-16-31)19-25(34)21-9-5-3-6-10-21/h3-12,17-18,20H,13-16,19H2,1-2H3/p+1