tert-butyl 4-(8-chloranyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(8-chloranyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-chloro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate CAS Name: 4-(8-chloro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-chloro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate Traditional Name: 4-(8-chloro-1-keto-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24ClN3O3 MolecularWeight: 365.85446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=C(CCNC3=O)C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=C(CCNC3=O)C=C2)Cl

InChI

InChI=1S/C18H24ClN3O3/c1-18(2,3)25-17(24)22-10-8-21(9-11-22)13-5-4-12-6-7-20-16(23)14(12)15(13)19/h4-5H,6-11H2,1-3H3,(H,20,23)