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

Systemtic Name: tert-butyl N-[4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-(4-butoxy-6,7-dichloro-2-isopropyl-1-oxo-3-isoquinolyl)-N-methyl-carbamate CAS Name: N-(4-butoxy-6,7-dichloro-1-oxo-2-propan-2-yl-3-isoquinolinyl)-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-butoxy-6,7-dichloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)-N-methylcarbamate Traditional Name: N-(4-butoxy-6,7-dichloro-2-isopropyl-1-keto-3-isoquinolyl)-N-methyl-carbamic acid tert-butyl ester Formula: C22H30Cl2N2O4 MolecularWeight: 457.3906

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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)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30Cl2N2O4/c1-8-9-10-29-18-14-11-16(23)17(24)12-15(14)20(27)26(13(2)3)19(18)25(7)21(28)30-22(4,5)6/h11-13H,8-10H2,1-7H3