7-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]carbonyl-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 7-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]carbonyl-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C29H32N5O3+ MolecularWeight: 498.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C4C(=C[N+](=C3)C)C(=O)N(N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C4C(=C[N+](=C3)C)C(=O)N(N4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O3/c1-29(2,3)21-12-10-20(11-13-21)26(35)32-14-16-33(17-15-32)27(36)23-18-31(4)19-24-25(23)30-34(28(24)37)22-8-6-5-7-9-22/h5-13,18-19H,14-17H2,1-4H3/p+1