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

Systemtic Name: tert-butyl 4-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[6-oxo-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-1-pyridazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[6-keto-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c1-27(2,3)35-26(34)30-17-14-20(15-18-30)32-23(33)13-12-21(28-32)24-22-11-7-8-16-31(22)29-25(24)19-9-5-4-6-10-19/h4-13,16,20H,14-15,17-18H2,1-3H3