tert-butyl 3-oxidanylidene-2-phenyl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-2-phenyl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate Openeye Name: tert-butyl 3-oxo-2-phenyl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate CAS Name: 3-oxo-2-phenyl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-phenyl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate Traditional Name: 3-keto-2-phenyl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=NN(C(=O)C2C1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=NN(C(=O)C2C1)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3/c1-17(2,3)23-16(22)19-10-9-14-13(11-19)15(21)20(18-14)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3