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

Systemtic Name: 2-phenyl-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C27H30N5O2+ MolecularWeight: 456.5594

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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=C5

Isomeric SMILES

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-20(2)31-18-23(25-24(19-31)27(34)32(28-25)22-11-7-4-8-12-22)26(33)30-15-13-29(14-16-30)17-21-9-5-3-6-10-21/h3-12,18-20H,13-17H2,1-2H3/p+1