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

Systemtic Name: tert-butyl N-[1-[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]hexyl]carbamate Openeye Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)hexyl]carbamate CAS Name: N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)hexyl]carbamate Traditional Name: N-[1-(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)hexyl]carbamic acid tert-butyl ester Formula: C25H36Cl2N2O4 MolecularWeight: 499.47034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C2=CC(=C(C=C2C(=O)N1C)Cl)Cl)OCCCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(C1=C(C2=CC(=C(C=C2C(=O)N1C)Cl)Cl)OCCCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H36Cl2N2O4/c1-7-9-11-12-20(28-24(31)33-25(3,4)5)21-22(32-13-10-8-2)16-14-18(26)19(27)15-17(16)23(30)29(21)6/h14-15,20H,7-13H2,1-6H3,(H,28,31)