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

Systemtic Name: tert-butyl N-[[4-butoxy-6,7-bis(chloranyl)-2-cyclopropyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxo-3-isoquinolinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxoisoquinolin-3-yl)methyl]carbamate Traditional Name: N-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-keto-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C22H28Cl2N2O4 MolecularWeight: 455.37472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C3CC3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C3CC3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H28Cl2N2O4/c1-5-6-9-29-19-14-10-16(23)17(24)11-15(14)20(27)26(13-7-8-13)18(19)12-25-21(28)30-22(2,3)4/h10-11,13H,5-9,12H2,1-4H3,(H,25,28)