5-[[(2R)-oxolan-2-yl]methyl]-7-(4-pentanoylpiperazin-1-yl)carbonyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 5-[[(2R)-oxolan-2-yl]methyl]-7-(4-pentanoylpiperazin-1-yl)carbonyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(4-pentanoylpiperazine-1-carbonyl)-2-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 5-[[(2R)-2-oxolanyl]methyl]-7-[oxo-[4-(1-oxopentyl)-1-piperazinyl]methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 5-[[(2R)-oxolan-2-yl]methyl]-7-(4-pentanoylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 2-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-7-(4-valerylpiperazine-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C27H34N5O4+ MolecularWeight: 492.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)CC4CCCO4)C(=O)N(N3)C5=CC=CC=C5

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C[C@H]4CCCO4)C(=O)N(N3)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O4/c1-2-3-11-24(33)30-12-14-31(15-13-30)26(34)22-18-29(17-21-10-7-16-36-21)19-23-25(22)28-32(27(23)35)20-8-5-4-6-9-20/h4-6,8-9,18-19,21H,2-3,7,10-17H2,1H3/p+1/t21-/m1/s1