tert-butyl 4-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)piperidine-1-carboxylate CAS Name: 4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(1-keto-5-methyl-2H-isoquinolin-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N2O3/c1-13-6-5-7-15-16(13)12-17(21-18(15)23)14-8-10-22(11-9-14)19(24)25-20(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,21,23)