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

Systemtic Name: tert-butyl N-[1-[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-3-methyl-butyl]carbamate Openeye Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)-3-methyl-butyl]carbamate CAS Name: N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)-3-methylbutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)-3-methylbutyl]carbamate Traditional Name: N-[1-(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C24H34Cl2N2O4 MolecularWeight: 485.44376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34Cl2N2O4/c1-8-9-10-31-21-15-12-17(25)18(26)13-16(15)22(29)28(7)20(21)19(11-14(2)3)27-23(30)32-24(4,5)6/h12-14,19H,8-11H2,1-7H3,(H,27,30)