tert-butyl 3-oxidanyl-4-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanyl-4-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-hydroxy-4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylate CAS Name: 3-hydroxy-4-[6-oxo-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-1-pyridazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylate Traditional Name: 3-hydroxy-4-[6-keto-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)O)N2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)O)N2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O4/c1-27(2,3)36-26(35)30-16-14-20(22(33)17-30)32-23(34)13-12-19(28-32)24-21-11-7-8-15-31(21)29-25(24)18-9-5-4-6-10-18/h4-13,15,20,22,33H,14,16-17H2,1-3H3