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

Systemtic Name: tert-butyl 4-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-oxo-3,4-dihydroisoquinolin-2-yl)piperazine-1-carboxylate CAS Name: 4-(1-oxo-3,4-dihydroisoquinolin-2-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-oxo-3,4-dihydroisoquinolin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(1-keto-3,4-dihydroisoquinolin-2-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)N2CCC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2CCC3=CC=CC=C3C2=O

InChI

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