tert-butyl N-[1-[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[1-[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]ethyl]carbamate Openeye Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)ethyl]carbamate CAS Name: N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]carbamate Traditional Name: N-[1-(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)ethyl]carbamic acid tert-butyl ester Formula: C21H28Cl2N2O4 MolecularWeight: 443.36402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28Cl2N2O4/c1-7-8-9-28-18-13-10-15(22)16(23)11-14(13)19(26)25(6)17(18)12(2)24-20(27)29-21(3,4)5/h10-12H,7-9H2,1-6H3,(H,24,27)