ethyl (4S,5R,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-4-phenyl-2-pyridin-2-yl-1,4,5,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl (4S,5R,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-4-phenyl-2-pyridin-2-yl-1,4,5,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2-(2-pyridyl)-1,4,5,7-tetrahydroindazole-5-carboxylate CAS Name: (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2-(2-pyridinyl)-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2-pyridin-2-yl-1,4,5,7-tetrahydroindazole-5-carboxylate Traditional Name: (4S,5R,6S)-6-hydroxy-3-keto-6-methyl-4-phenyl-2-(2-pyridyl)-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NN(C2=O)C3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NN(C2=O)C3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c1-3-29-21(27)19-17(14-9-5-4-6-10-14)18-15(13-22(19,2)28)24-25(20(18)26)16-11-7-8-12-23-16/h4-12,17,19,24,28H,3,13H2,1-2H3/t17-,19-,22-/m0/s1