tert-butyl 4-(2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylate CAS Name: 4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylate Traditional Name: 4-(1-keto-2-methyl-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)C)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)C)C=C2

InChI

InChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)22-11-9-21(10-12-22)15-6-5-14-7-8-20(4)17(23)16(14)13-15/h5-6,13H,7-12H2,1-4H3