tert-butyl 4-(1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate CAS Name: 4-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate Traditional Name: 4-(1-keto-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCNC3=O)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCNC3=O)C=C2

InChI

InChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-10-8-20(9-11-21)14-5-4-13-6-7-19-16(22)15(13)12-14/h4-5,12H,6-11H2,1-3H3,(H,19,22)