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

Systemtic Name: tert-butyl N-[[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)methyl]carbamate Traditional Name: N-[(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C20H26Cl2N2O4 MolecularWeight: 429.33744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26Cl2N2O4/c1-6-7-8-27-17-12-9-14(21)15(22)10-13(12)18(25)24(5)16(17)11-23-19(26)28-20(2,3)4/h9-10H,6-8,11H2,1-5H3,(H,23,26)