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

Systemtic Name: tert-butyl N-[1-[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]butyl]carbamate Openeye Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)butyl]carbamate CAS Name: N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)butyl]carbamate Traditional Name: N-[1-(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)butyl]carbamic acid tert-butyl ester Formula: C23H32Cl2N2O4 MolecularWeight: 471.41718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32Cl2N2O4/c1-7-9-11-30-20-14-12-16(24)17(25)13-15(14)21(28)27(6)19(20)18(10-8-2)26-22(29)31-23(3,4)5/h12-13,18H,7-11H2,1-6H3,(H,26,29)